REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jny_1_B DATA FIRST_RESID 4 DATA SEQUENCE KPHLNLIVIG HVDHGKSTLV GRLLMDRGFI DEKTVKEAEE AAKKLGKESE DATA SEQUENCE KFAFLLDRXX XXXXXXXXXX XXXMRFETKK YFFTIIDAPG HRDFVKNMIT DATA SEQUENCE GASQADAAIL VVSAKKGEYE AGMSVEGQTR EHIILAKTMG LDQLIVAVNK DATA SEQUENCE MDLTEPPYDE KRYKEIVDQV SKFMRSYGFN TNKVRFVPVV APSGDNITHK DATA SEQUENCE SENMKWYNGP TLEEYLDQLE LPPKPVDKPL RIPIQDVYSI SGVGTVPVGR DATA SEQUENCE VESGVLKVGD KIVFMPAGKV GEVRSIETHH TKMDKAEPGD NIGFNVRGVE DATA SEQUENCE KKDIKRGDVV GHPNNPPTVA DEFTARIIVV WHPTALANGY TPVLHVHTAS DATA SEQUENCE VACRVSELVS KLDPRTGQEA EKNPQFLKQG DVAIVKFKPI KPLCVEKYNE DATA SEQUENCE FPPLGRFAMR DMGKTVGVGI IVDVKPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.724 176.600 0.206 0.000 0.988 4 K CA 0.000 56.334 56.287 0.079 0.000 0.838 4 K CB 0.000 32.427 32.500 -0.122 0.000 1.064 5 P HA 0.026 nan 4.420 nan 0.000 0.270 5 P C -1.107 176.363 177.300 0.283 0.000 1.223 5 P CA -0.012 63.205 63.100 0.194 0.000 0.785 5 P CB 0.554 32.364 31.700 0.183 0.000 0.923 6 H N 0.352 119.499 119.070 0.128 0.000 2.469 6 H HA 0.639 5.195 4.556 0.000 0.000 0.342 6 H C -0.800 174.499 175.328 -0.049 0.000 1.115 6 H CA -0.560 55.515 56.048 0.046 0.000 1.204 6 H CB 0.594 30.379 29.762 0.038 0.000 1.492 6 H HN 0.217 nan 8.280 nan 0.000 0.499 7 L N 3.863 124.638 121.223 -0.747 0.000 2.354 7 L HA 0.455 4.795 4.340 0.000 0.000 0.264 7 L C -0.602 176.078 176.870 -0.318 0.000 1.008 7 L CA -1.177 53.410 54.840 -0.420 0.000 0.819 7 L CB 2.156 43.941 42.059 -0.457 0.000 1.339 7 L HN 0.693 nan 8.230 nan 0.000 0.420 8 N N 2.631 121.314 118.700 -0.028 0.000 2.321 8 N HA 0.711 5.451 4.740 0.000 0.000 0.299 8 N C -1.238 174.322 175.510 0.082 0.000 1.048 8 N CA -0.436 52.658 53.050 0.074 0.000 0.836 8 N CB 2.639 41.199 38.487 0.120 0.000 1.269 8 N HN 0.362 nan 8.380 nan 0.000 0.486 9 L N 1.526 122.802 121.223 0.089 0.000 2.354 9 L HA 0.674 5.014 4.340 0.000 0.000 0.264 9 L C -0.098 176.810 176.870 0.064 0.000 1.008 9 L CA -1.163 53.712 54.840 0.058 0.000 0.819 9 L CB 2.093 44.158 42.059 0.011 0.000 1.339 9 L HN 0.452 nan 8.230 nan 0.000 0.420 10 I N -0.800 119.803 120.570 0.056 0.000 2.569 10 I HA 0.682 4.852 4.170 0.000 0.000 0.296 10 I C -0.901 175.234 176.117 0.030 0.000 1.028 10 I CA -0.988 60.351 61.300 0.065 0.000 1.082 10 I CB 2.116 40.193 38.000 0.127 0.000 1.264 10 I HN 0.153 nan 8.210 nan 0.000 0.429 11 V N 6.576 126.488 119.914 -0.003 0.000 2.370 11 V HA 0.505 4.625 4.120 0.000 0.000 0.283 11 V C 0.276 176.329 176.094 -0.068 0.000 1.023 11 V CA -0.439 61.848 62.300 -0.021 0.000 0.857 11 V CB 1.172 32.987 31.823 -0.015 0.000 0.985 11 V HN 0.722 nan 8.190 nan 0.000 0.443 12 I N 1.975 122.518 120.570 -0.045 0.000 3.023 12 I HA 1.121 5.292 4.170 0.000 0.000 0.312 12 I C 0.323 176.481 176.117 0.068 0.000 1.056 12 I CA -0.715 60.538 61.300 -0.078 0.000 1.033 12 I CB 2.343 40.301 38.000 -0.071 0.000 1.233 12 I HN 0.762 nan 8.210 nan 0.000 0.462 13 G N 0.688 109.643 108.800 0.258 0.000 2.356 13 G HA2 0.085 4.045 3.960 0.000 0.000 0.300 13 G HA3 0.085 4.045 3.960 0.000 0.000 0.300 13 G C -1.878 173.078 174.900 0.092 0.000 1.331 13 G CA -0.817 44.393 45.100 0.184 0.000 0.905 13 G HN 1.028 nan 8.290 nan 0.000 0.587 14 H N -0.259 118.628 119.070 -0.305 0.000 2.551 14 H HA 0.479 5.035 4.556 0.000 0.000 0.358 14 H C 0.644 175.755 175.328 -0.362 0.000 1.151 14 H CA 0.330 56.076 56.048 -0.502 0.000 1.374 14 H CB 1.655 30.854 29.762 -0.937 0.000 1.473 14 H HN 0.565 nan 8.280 nan 0.000 0.574 15 V N 3.926 123.562 119.914 -0.464 0.000 2.694 15 V HA -0.129 3.991 4.120 0.000 0.000 0.306 15 V C 0.024 176.182 176.094 0.108 0.000 1.054 15 V CA 0.991 63.194 62.300 -0.161 0.000 1.161 15 V CB -0.230 31.465 31.823 -0.214 0.000 0.916 15 V HN 1.133 nan 8.190 nan 0.000 0.490 16 D N 3.220 123.690 120.400 0.117 0.000 2.870 16 D HA -0.180 4.461 4.640 0.000 0.000 0.228 16 D C 0.700 177.173 176.300 0.288 0.000 1.147 16 D CA 1.500 55.605 54.000 0.174 0.000 0.757 16 D CB -1.372 39.514 40.800 0.144 0.000 1.091 16 D HN 0.935 nan 8.370 nan 0.000 0.429 17 H N -1.347 117.766 119.070 0.072 0.000 2.575 17 H HA 0.350 4.906 4.556 0.000 0.000 0.267 17 H C 1.818 177.174 175.328 0.046 0.000 0.966 17 H CA 0.495 56.582 56.048 0.066 0.000 1.165 17 H CB 0.908 30.723 29.762 0.089 0.000 1.433 17 H HN 0.305 nan 8.280 nan 0.000 0.544 18 G N 1.292 110.179 108.800 0.145 0.000 2.151 18 G HA2 -0.207 3.753 3.960 0.000 0.000 0.140 18 G HA3 -0.207 3.753 3.960 0.000 0.000 0.140 18 G C 0.958 175.906 174.900 0.079 0.000 1.020 18 G CA 0.040 45.195 45.100 0.090 0.000 0.688 18 G HN 0.243 nan 8.290 nan 0.000 0.500 19 K N 0.980 121.427 120.400 0.077 0.000 1.991 19 K HA -0.100 4.220 4.320 0.000 0.000 0.212 19 K C 2.873 179.502 176.600 0.048 0.000 1.049 19 K CA 2.026 58.343 56.287 0.050 0.000 0.932 19 K CB -0.302 32.217 32.500 0.031 0.000 0.717 19 K HN 0.564 nan 8.250 nan 0.000 0.441 20 S N 0.462 116.194 115.700 0.055 0.000 2.423 20 S HA -0.104 4.366 4.470 0.000 0.000 0.231 20 S C 2.013 176.652 174.600 0.065 0.000 1.014 20 S CA 1.543 59.774 58.200 0.051 0.000 0.965 20 S CB -0.549 62.674 63.200 0.039 0.000 0.785 20 S HN 0.183 nan 8.310 nan 0.000 0.495 21 T N 2.705 117.326 114.554 0.112 0.000 2.770 21 T HA 0.128 4.478 4.350 0.000 0.000 0.263 21 T C 1.706 176.535 174.700 0.214 0.000 1.039 21 T CA 1.154 63.391 62.100 0.228 0.000 1.142 21 T CB -0.519 68.472 68.868 0.205 0.000 0.868 21 T HN 0.331 nan 8.240 nan 0.000 0.435 22 L N 1.160 122.441 121.223 0.097 0.000 2.017 22 L HA -0.074 4.266 4.340 0.000 0.000 0.208 22 L C 2.451 179.317 176.870 -0.006 0.000 1.073 22 L CA 1.238 56.099 54.840 0.036 0.000 0.745 22 L CB -0.378 41.682 42.059 0.003 0.000 0.894 22 L HN 0.050 nan 8.230 nan 0.000 0.432 23 V N 0.082 119.993 119.914 -0.006 0.000 2.343 23 V HA -0.237 3.883 4.120 0.000 0.000 0.247 23 V C 2.604 178.666 176.094 -0.053 0.000 1.051 23 V CA 1.889 64.165 62.300 -0.041 0.000 1.036 23 V CB -1.431 30.395 31.823 0.004 0.000 0.654 23 V HN 0.670 nan 8.190 nan 0.000 0.451 24 G N -0.276 108.513 108.800 -0.018 0.000 2.418 24 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 24 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 24 G C 1.659 176.557 174.900 -0.004 0.000 1.158 24 G CA 1.034 46.078 45.100 -0.093 0.000 0.771 24 G HN 0.393 nan 8.290 nan 0.000 0.545 25 R N 0.458 121.076 120.500 0.196 0.000 2.080 25 R HA 0.041 4.381 4.340 0.000 0.000 0.236 25 R C 2.638 178.933 176.300 -0.008 0.000 1.137 25 R CA 1.286 57.533 56.100 0.244 0.000 0.943 25 R CB -0.954 29.432 30.300 0.144 0.000 0.846 25 R HN 0.413 nan 8.270 nan 0.000 0.431 26 L N -0.100 121.015 121.223 -0.181 0.000 2.012 26 L HA -0.202 4.138 4.340 0.000 0.000 0.210 26 L C 2.417 179.046 176.870 -0.403 0.000 1.073 26 L CA 1.460 56.025 54.840 -0.458 0.000 0.748 26 L CB -0.546 40.979 42.059 -0.891 0.000 0.891 26 L HN 0.215 nan 8.230 nan 0.000 0.431 27 L N -1.249 119.819 121.223 -0.258 0.000 2.083 27 L HA -0.250 4.090 4.340 0.000 0.000 0.209 27 L C 2.649 179.487 176.870 -0.052 0.000 1.083 27 L CA 1.259 56.042 54.840 -0.095 0.000 0.752 27 L CB -0.360 41.690 42.059 -0.015 0.000 0.899 27 L HN 0.352 nan 8.230 nan 0.000 0.433 28 M N -0.460 119.119 119.600 -0.034 0.000 2.175 28 M HA -0.194 4.286 4.480 0.000 0.000 0.264 28 M C 1.513 177.825 176.300 0.020 0.000 1.063 28 M CA 1.683 56.993 55.300 0.017 0.000 1.119 28 M CB -0.073 32.580 32.600 0.088 0.000 1.377 28 M HN 0.234 nan 8.290 nan 0.000 0.415 29 D N -0.519 119.878 120.400 -0.005 0.000 2.201 29 D HA 0.003 4.643 4.640 0.000 0.000 0.209 29 D C 1.463 177.750 176.300 -0.022 0.000 0.961 29 D CA 0.930 54.930 54.000 -0.001 0.000 0.861 29 D CB 0.033 40.837 40.800 0.006 0.000 0.997 29 D HN 0.259 nan 8.370 nan 0.000 0.486 30 R N 0.470 120.935 120.500 -0.058 0.000 2.508 30 R HA 0.337 4.677 4.340 0.000 0.000 0.300 30 R C 0.945 177.156 176.300 -0.149 0.000 0.970 30 R CA -0.161 55.918 56.100 -0.034 0.000 1.102 30 R CB 0.918 31.280 30.300 0.102 0.000 1.246 30 R HN 0.004 nan 8.270 nan 0.000 0.539 31 G N 0.094 108.798 108.800 -0.161 0.000 2.525 31 G HA2 0.341 4.301 3.960 0.000 0.000 0.287 31 G HA3 0.341 4.301 3.960 0.000 0.000 0.287 31 G C -0.601 174.021 174.900 -0.463 0.000 1.350 31 G CA -0.389 44.552 45.100 -0.264 0.000 1.039 31 G HN 0.061 nan 8.290 nan 0.000 0.513 32 F N 0.004 120.063 119.950 0.183 0.000 2.664 32 F HA 0.358 4.885 4.527 0.000 0.000 0.322 32 F C 0.020 175.884 175.800 0.107 0.000 1.324 32 F CA -0.937 57.148 58.000 0.141 0.000 1.154 32 F CB 0.038 39.124 39.000 0.143 0.000 1.236 32 F HN -0.022 nan 8.300 nan 0.000 0.532 33 I N 0.832 121.512 120.570 0.182 0.000 2.668 33 I HA -0.081 4.089 4.170 0.000 0.000 0.285 33 I C 1.842 178.042 176.117 0.139 0.000 1.168 33 I CA 0.312 61.693 61.300 0.135 0.000 1.424 33 I CB 0.171 38.225 38.000 0.089 0.000 1.377 33 I HN 0.326 nan 8.210 nan 0.000 0.560 34 D N 4.340 124.814 120.400 0.123 0.000 3.248 34 D HA -0.319 4.321 4.640 0.000 0.000 0.190 34 D C 0.793 177.148 176.300 0.090 0.000 1.167 34 D CA 1.972 56.033 54.000 0.103 0.000 0.914 34 D CB 0.165 41.020 40.800 0.091 0.000 0.880 34 D HN 0.772 nan 8.370 nan 0.000 0.498 35 E N -1.572 118.679 120.200 0.085 0.000 8.389 35 E HA -0.355 3.995 4.350 0.000 0.000 0.468 35 E C 0.854 177.484 176.600 0.050 0.000 0.993 35 E CA 1.492 57.932 56.400 0.067 0.000 1.743 35 E CB -0.313 29.430 29.700 0.071 0.000 0.996 35 E HN 0.454 nan 8.360 nan 0.000 0.262 36 K N -0.931 119.488 120.400 0.031 0.000 3.517 36 K HA -0.306 4.015 4.320 0.000 0.000 0.320 36 K C 0.913 177.520 176.600 0.012 0.000 0.769 36 K CA 3.242 59.540 56.287 0.018 0.000 1.397 36 K CB -2.118 30.397 32.500 0.024 0.000 1.376 36 K HN 0.451 nan 8.250 nan 0.000 0.456 37 T N 0.582 115.161 114.554 0.041 0.000 2.942 37 T HA 0.077 4.427 4.350 0.000 0.000 0.265 37 T C 1.782 176.485 174.700 0.006 0.000 1.062 37 T CA 1.102 63.245 62.100 0.072 0.000 1.139 37 T CB -0.093 68.854 68.868 0.132 0.000 0.883 37 T HN 0.214 nan 8.240 nan 0.000 0.468 38 V N 1.519 121.440 119.914 0.012 0.000 2.287 38 V HA -0.192 3.928 4.120 0.000 0.000 0.248 38 V C 2.451 178.497 176.094 -0.080 0.000 1.053 38 V CA 1.637 63.929 62.300 -0.013 0.000 1.027 38 V CB -0.460 31.373 31.823 0.017 0.000 0.646 38 V HN 0.317 nan 8.190 nan 0.000 0.447 39 K N 0.249 120.609 120.400 -0.067 0.000 2.097 39 K HA -0.136 4.184 4.320 0.000 0.000 0.206 39 K C 2.056 178.555 176.600 -0.168 0.000 1.049 39 K CA 1.290 57.524 56.287 -0.087 0.000 0.933 39 K CB -0.348 32.124 32.500 -0.047 0.000 0.717 39 K HN 0.589 nan 8.250 nan 0.000 0.442 40 E N -0.075 119.992 120.200 -0.221 0.000 2.106 40 E HA -0.142 4.209 4.350 0.000 0.000 0.192 40 E C 1.990 178.083 176.600 -0.846 0.000 0.984 40 E CA 1.044 57.215 56.400 -0.382 0.000 0.806 40 E CB -0.138 29.412 29.700 -0.251 0.000 0.750 40 E HN 0.341 nan 8.360 nan 0.000 0.458 41 A N 1.535 123.790 122.820 -0.942 0.000 1.930 41 A HA -0.222 4.098 4.320 0.000 0.000 0.217 41 A C 1.910 179.249 177.584 -0.408 0.000 1.175 41 A CA 1.356 52.817 52.037 -0.960 0.000 0.627 41 A CB -0.341 18.452 19.000 -0.346 0.000 0.815 41 A HN 0.155 nan 8.150 nan 0.000 0.443 42 E N -0.471 119.576 120.200 -0.255 0.000 2.106 42 E HA -0.198 4.152 4.350 0.000 0.000 0.192 42 E C 2.083 178.605 176.600 -0.130 0.000 0.984 42 E CA 0.962 57.282 56.400 -0.134 0.000 0.806 42 E CB -0.148 29.499 29.700 -0.088 0.000 0.750 42 E HN 0.714 nan 8.360 nan 0.000 0.458 43 E N 1.601 121.698 120.200 -0.172 0.000 2.051 43 E HA -0.218 4.133 4.350 0.000 0.000 0.192 43 E C 2.013 178.551 176.600 -0.104 0.000 0.991 43 E CA 1.356 57.683 56.400 -0.122 0.000 0.799 43 E CB -0.089 29.537 29.700 -0.124 0.000 0.748 43 E HN 0.176 nan 8.360 nan 0.000 0.449 44 A N 1.667 124.387 122.820 -0.167 0.000 1.883 44 A HA -0.081 4.239 4.320 0.000 0.000 0.217 44 A C 2.553 180.129 177.584 -0.013 0.000 1.186 44 A CA 2.591 54.593 52.037 -0.058 0.000 0.624 44 A CB -1.002 17.985 19.000 -0.020 0.000 0.822 44 A HN 0.426 nan 8.150 nan 0.000 0.444 45 A N -0.462 122.339 122.820 -0.032 0.000 1.940 45 A HA -0.179 4.141 4.320 0.000 0.000 0.219 45 A C 2.086 179.669 177.584 -0.002 0.000 1.176 45 A CA 1.979 54.017 52.037 0.001 0.000 0.631 45 A CB -0.334 18.666 19.000 -0.000 0.000 0.814 45 A HN 0.397 nan 8.150 nan 0.000 0.446 46 K N -0.083 120.306 120.400 -0.018 0.000 2.001 46 K HA -0.073 4.247 4.320 0.000 0.000 0.208 46 K C 1.892 178.489 176.600 -0.003 0.000 1.048 46 K CA 1.610 57.890 56.287 -0.012 0.000 0.932 46 K CB -0.580 31.907 32.500 -0.021 0.000 0.715 46 K HN 0.351 nan 8.250 nan 0.000 0.437 47 K N 0.815 121.213 120.400 -0.003 0.000 2.074 47 K HA -0.107 4.213 4.320 0.000 0.000 0.209 47 K C 1.930 178.539 176.600 0.015 0.000 1.048 47 K CA 1.045 57.336 56.287 0.007 0.000 0.926 47 K CB -0.241 32.267 32.500 0.013 0.000 0.713 47 K HN -0.063 nan 8.250 nan 0.000 0.444 48 L N -1.279 119.957 121.223 0.021 0.000 2.509 48 L HA 0.183 4.523 4.340 0.000 0.000 0.222 48 L C 1.497 178.379 176.870 0.020 0.000 1.123 48 L CA 1.252 56.108 54.840 0.026 0.000 0.856 48 L CB 0.142 42.224 42.059 0.039 0.000 0.985 48 L HN 0.492 nan 8.230 nan 0.000 0.456 49 G N -0.207 108.602 108.800 0.014 0.000 2.708 49 G HA2 -0.401 3.559 3.960 0.000 0.000 0.229 49 G HA3 -0.401 3.559 3.960 0.000 0.000 0.229 49 G C 0.641 175.550 174.900 0.014 0.000 1.236 49 G CA 0.454 45.561 45.100 0.011 0.000 0.749 49 G HN 0.494 nan 8.290 nan 0.000 0.515 50 K N 1.273 121.685 120.400 0.021 0.000 2.363 50 K HA 0.562 4.882 4.320 0.000 0.000 0.289 50 K C 0.595 177.213 176.600 0.030 0.000 1.063 50 K CA 0.388 56.690 56.287 0.025 0.000 0.967 50 K CB 1.481 34.000 32.500 0.032 0.000 0.987 50 K HN 0.182 nan 8.250 nan 0.000 0.473 51 E N 1.689 121.903 120.200 0.023 0.000 2.338 51 E HA -0.137 4.213 4.350 0.000 0.000 0.197 51 E C 1.360 177.988 176.600 0.046 0.000 1.007 51 E CA 1.252 57.667 56.400 0.026 0.000 0.849 51 E CB 0.109 29.816 29.700 0.013 0.000 0.774 51 E HN 0.830 nan 8.360 nan 0.000 0.506 52 S N -0.001 115.729 115.700 0.049 0.000 2.547 52 S HA -0.144 4.326 4.470 0.000 0.000 0.235 52 S C 1.780 176.459 174.600 0.131 0.000 0.980 52 S CA 0.908 59.151 58.200 0.072 0.000 0.941 52 S CB -0.038 63.188 63.200 0.044 0.000 0.763 52 S HN 0.158 nan 8.310 nan 0.000 0.532 53 E N 2.455 122.720 120.200 0.109 0.000 2.268 53 E HA -0.066 4.284 4.350 0.000 0.000 0.195 53 E C 1.837 178.537 176.600 0.167 0.000 0.995 53 E CA 1.160 57.640 56.400 0.133 0.000 0.836 53 E CB -0.349 29.410 29.700 0.098 0.000 0.763 53 E HN 0.700 nan 8.360 nan 0.000 0.491 54 K N -0.842 119.638 120.400 0.134 0.000 2.057 54 K HA -0.150 4.171 4.320 0.000 0.000 0.206 54 K C 1.956 178.679 176.600 0.206 0.000 1.050 54 K CA 1.288 57.646 56.287 0.119 0.000 0.935 54 K CB -0.354 32.188 32.500 0.070 0.000 0.715 54 K HN 0.238 nan 8.250 nan 0.000 0.439 55 F N 1.251 121.246 119.950 0.076 0.000 2.084 55 F HA -0.078 4.450 4.527 0.000 0.000 0.296 55 F C 2.094 177.950 175.800 0.093 0.000 1.111 55 F CA 1.538 59.582 58.000 0.073 0.000 1.224 55 F CB -0.495 38.532 39.000 0.045 0.000 0.991 55 F HN 0.094 nan 8.300 nan 0.000 0.471 56 A N 0.171 123.154 122.820 0.272 0.000 1.917 56 A HA -0.254 4.066 4.320 0.000 0.000 0.219 56 A C 2.149 179.771 177.584 0.064 0.000 1.182 56 A CA 1.842 53.964 52.037 0.142 0.000 0.633 56 A CB -1.659 17.440 19.000 0.166 0.000 0.819 56 A HN 0.553 nan 8.150 nan 0.000 0.448 57 F N 0.523 120.467 119.950 -0.011 0.000 2.051 57 F HA -0.159 4.368 4.527 0.000 0.000 0.296 57 F C 1.996 177.757 175.800 -0.066 0.000 1.122 57 F CA 1.997 59.983 58.000 -0.024 0.000 1.201 57 F CB -0.459 38.541 39.000 -0.001 0.000 0.978 57 F HN 0.139 nan 8.300 nan 0.000 0.472 58 L N -0.310 121.073 121.223 0.266 0.000 2.127 58 L HA -0.228 4.112 4.340 0.000 0.000 0.211 58 L C 2.382 179.177 176.870 -0.125 0.000 1.089 58 L CA 0.783 55.678 54.840 0.092 0.000 0.757 58 L CB -0.801 41.280 42.059 0.036 0.000 0.899 58 L HN 0.308 nan 8.230 nan 0.000 0.434 59 L N -0.237 120.827 121.223 -0.266 0.000 2.027 59 L HA -0.196 4.144 4.340 0.000 0.000 0.206 59 L C 2.074 178.838 176.870 -0.177 0.000 1.074 59 L CA 1.914 56.570 54.840 -0.307 0.000 0.745 59 L CB -0.640 41.171 42.059 -0.413 0.000 0.898 59 L HN 0.187 nan 8.230 nan 0.000 0.433 60 D N -0.933 119.361 120.400 -0.175 0.000 2.103 60 D HA -0.055 4.585 4.640 0.000 0.000 0.199 60 D C 1.182 177.369 176.300 -0.189 0.000 0.978 60 D CA 0.699 54.597 54.000 -0.170 0.000 0.829 60 D CB 0.081 40.766 40.800 -0.191 0.000 0.981 60 D HN 0.223 nan 8.370 nan 0.000 0.464 78 R N 0.689 121.381 120.500 0.321 0.000 2.778 78 R HA 0.831 5.171 4.340 0.000 0.000 0.277 78 R C -1.526 175.045 176.300 0.451 0.000 0.977 78 R CA -0.596 55.739 56.100 0.392 0.000 0.950 78 R CB 1.740 32.286 30.300 0.411 0.000 1.165 78 R HN 0.528 nan 8.270 nan 0.000 0.474 79 F N -1.899 118.200 119.950 0.249 0.000 2.711 79 F HA 0.570 5.097 4.527 0.000 0.000 0.313 79 F C -1.131 174.770 175.800 0.170 0.000 1.141 79 F CA -1.258 56.745 58.000 0.005 0.000 0.941 79 F CB 1.900 40.888 39.000 -0.019 0.000 1.349 79 F HN 0.473 nan 8.300 nan 0.000 0.464 80 E N 1.012 121.286 120.200 0.124 0.000 2.222 80 E HA 0.582 4.932 4.350 0.000 0.000 0.267 80 E C -1.090 175.575 176.600 0.109 0.000 0.884 80 E CA -0.669 55.740 56.400 0.015 0.000 0.764 80 E CB 2.216 31.896 29.700 -0.033 0.000 1.169 80 E HN 0.922 nan 8.360 nan 0.000 0.413 81 T N 0.483 115.081 114.554 0.073 0.000 2.768 81 T HA 0.361 4.711 4.350 0.000 0.000 0.268 81 T C 0.955 175.650 174.700 -0.007 0.000 0.969 81 T CA -0.660 61.530 62.100 0.150 0.000 1.008 81 T CB 0.928 70.013 68.868 0.362 0.000 1.371 81 T HN 0.418 nan 8.240 nan 0.000 0.587 82 K N 0.275 120.686 120.400 0.019 0.000 2.211 82 K HA 0.020 4.341 4.320 0.000 0.000 0.203 82 K C 1.763 178.284 176.600 -0.132 0.000 1.050 82 K CA 0.900 57.159 56.287 -0.046 0.000 0.945 82 K CB 0.021 32.512 32.500 -0.015 0.000 0.732 82 K HN 0.364 nan 8.250 nan 0.000 0.451 83 K N -0.809 119.485 120.400 -0.177 0.000 2.399 83 K HA 0.158 4.478 4.320 0.000 0.000 0.196 83 K C 0.223 176.408 176.600 -0.692 0.000 1.117 83 K CA 0.525 56.544 56.287 -0.446 0.000 0.965 83 K CB 0.582 32.726 32.500 -0.593 0.000 0.983 83 K HN 0.032 nan 8.250 nan 0.000 0.531 84 Y N -0.880 119.235 120.300 -0.309 0.000 2.698 84 Y HA 0.476 5.026 4.550 0.000 0.000 0.332 84 Y C -0.610 174.919 175.900 -0.617 0.000 1.119 84 Y CA -1.395 56.396 58.100 -0.514 0.000 1.109 84 Y CB 1.073 38.956 38.460 -0.962 0.000 1.308 84 Y HN -0.296 nan 8.280 nan 0.000 0.499 85 F N 1.275 121.069 119.950 -0.260 0.000 2.493 85 F HA 0.560 5.087 4.527 0.000 0.000 0.329 85 F C -1.096 174.361 175.800 -0.571 0.000 1.126 85 F CA -0.980 56.929 58.000 -0.152 0.000 0.937 85 F CB 0.862 39.953 39.000 0.153 0.000 1.146 85 F HN 0.169 nan 8.300 nan 0.000 0.442 86 F N 0.728 120.464 119.950 -0.357 0.000 2.523 86 F HA 0.691 5.218 4.527 0.000 0.000 0.329 86 F C 0.112 175.724 175.800 -0.313 0.000 1.061 86 F CA -0.760 56.859 58.000 -0.635 0.000 0.967 86 F CB 2.261 40.646 39.000 -1.025 0.000 1.218 86 F HN 0.133 nan 8.300 nan 0.000 0.480 87 T N 2.835 117.440 114.554 0.084 0.000 2.937 87 T HA 0.478 4.829 4.350 0.000 0.000 0.297 87 T C -0.470 174.343 174.700 0.188 0.000 0.991 87 T CA -0.429 61.813 62.100 0.237 0.000 0.990 87 T CB 0.817 69.900 68.868 0.358 0.000 0.991 87 T HN 0.286 nan 8.240 nan 0.000 0.440 88 I N 4.990 125.685 120.570 0.209 0.000 2.329 88 I HA 0.201 4.371 4.170 0.000 0.000 0.295 88 I C 1.733 177.910 176.117 0.100 0.000 1.109 88 I CA -0.209 61.184 61.300 0.155 0.000 1.297 88 I CB 0.440 38.541 38.000 0.169 0.000 1.433 88 I HN 0.722 nan 8.210 nan 0.000 0.509 89 I N 1.135 121.755 120.570 0.083 0.000 2.716 89 I HA 0.219 4.389 4.170 0.000 0.000 0.259 89 I C 0.414 176.538 176.117 0.011 0.000 1.172 89 I CA 0.916 62.250 61.300 0.057 0.000 1.478 89 I CB 0.078 38.121 38.000 0.071 0.000 1.104 89 I HN 0.414 nan 8.210 nan 0.000 0.439 90 D N 0.064 120.468 120.400 0.008 0.000 2.692 90 D HA 0.784 5.424 4.640 0.000 0.000 0.303 90 D C -1.705 174.550 176.300 -0.076 0.000 1.278 90 D CA -0.009 53.982 54.000 -0.016 0.000 0.852 90 D CB 2.543 43.460 40.800 0.195 0.000 1.375 90 D HN 0.286 nan 8.370 nan 0.000 0.453 91 A N 0.626 123.332 122.820 -0.190 0.000 2.590 91 A HA 0.607 4.927 4.320 0.000 0.000 0.296 91 A C -2.991 174.146 177.584 -0.745 0.000 1.050 91 A CA -1.003 50.813 52.037 -0.368 0.000 0.697 91 A CB 1.444 20.339 19.000 -0.174 0.000 1.277 91 A HN 0.255 nan 8.150 nan 0.000 0.411 92 P HA 0.425 nan 4.420 nan 0.000 0.269 92 P C 1.111 178.215 177.300 -0.328 0.000 1.209 92 P CA 2.015 64.440 63.100 -1.124 0.000 0.776 92 P CB 0.876 32.129 31.700 -0.746 0.000 0.876 93 G N 0.248 108.948 108.800 -0.166 0.000 2.218 93 G HA2 -0.165 3.796 3.960 0.000 0.000 0.216 93 G HA3 -0.165 3.796 3.960 0.000 0.000 0.216 93 G C 0.076 174.915 174.900 -0.103 0.000 0.994 93 G CA -0.395 44.643 45.100 -0.103 0.000 0.637 93 G HN 0.636 nan 8.290 nan 0.000 0.505 94 H N 1.304 120.345 119.070 -0.049 0.000 2.481 94 H HA 0.391 4.947 4.556 0.000 0.000 0.339 94 H C 1.044 176.417 175.328 0.074 0.000 1.131 94 H CA -0.126 55.934 56.048 0.020 0.000 1.301 94 H CB 0.871 30.657 29.762 0.040 0.000 1.476 94 H HN 0.594 nan 8.280 nan 0.000 0.529 95 R N 1.501 122.087 120.500 0.143 0.000 2.489 95 R HA -0.018 4.322 4.340 0.000 0.000 0.287 95 R C -0.804 175.582 176.300 0.143 0.000 1.053 95 R CA -0.147 56.020 56.100 0.112 0.000 1.036 95 R CB 0.198 30.539 30.300 0.068 0.000 0.966 95 R HN 0.647 nan 8.270 nan 0.000 0.432 96 D N 0.680 121.153 120.400 0.121 0.000 2.981 96 D HA -0.224 4.416 4.640 0.000 0.000 0.203 96 D C 0.147 176.510 176.300 0.106 0.000 1.049 96 D CA 1.217 55.271 54.000 0.091 0.000 1.003 96 D CB -1.344 39.497 40.800 0.068 0.000 1.085 96 D HN 0.643 nan 8.370 nan 0.000 0.432 97 F N 1.302 121.272 119.950 0.033 0.000 2.069 97 F HA -0.214 4.314 4.527 0.000 0.000 0.298 97 F C 2.089 177.882 175.800 -0.011 0.000 1.113 97 F CA 2.056 60.062 58.000 0.010 0.000 1.214 97 F CB -0.454 38.558 39.000 0.020 0.000 0.978 97 F HN 0.022 nan 8.300 nan 0.000 0.474 98 V N 1.315 121.112 119.914 -0.196 0.000 2.295 98 V HA -0.311 3.810 4.120 0.000 0.000 0.246 98 V C 2.598 178.553 176.094 -0.231 0.000 1.049 98 V CA 2.287 64.416 62.300 -0.284 0.000 1.024 98 V CB -0.924 30.864 31.823 -0.058 0.000 0.648 98 V HN 0.352 nan 8.190 nan 0.000 0.447 99 K N 0.523 120.851 120.400 -0.120 0.000 2.020 99 K HA -0.270 4.050 4.320 0.000 0.000 0.212 99 K C 2.014 178.538 176.600 -0.126 0.000 1.050 99 K CA 2.222 58.454 56.287 -0.093 0.000 0.929 99 K CB -0.378 32.101 32.500 -0.035 0.000 0.714 99 K HN 0.438 nan 8.250 nan 0.000 0.443 100 N N 0.485 119.110 118.700 -0.125 0.000 2.205 100 N HA -0.152 4.588 4.740 0.000 0.000 0.186 100 N C 1.746 177.153 175.510 -0.173 0.000 1.015 100 N CA 1.284 54.264 53.050 -0.118 0.000 0.862 100 N CB -0.194 38.248 38.487 -0.075 0.000 0.986 100 N HN 0.280 nan 8.380 nan 0.000 0.429 101 M N 0.189 119.619 119.600 -0.284 0.000 2.200 101 M HA 0.052 4.532 4.480 0.000 0.000 0.265 101 M C 2.086 178.228 176.300 -0.263 0.000 1.066 101 M CA 0.748 55.869 55.300 -0.298 0.000 1.127 101 M CB -0.708 31.622 32.600 -0.451 0.000 1.379 101 M HN 0.084 nan 8.290 nan 0.000 0.420 102 I N 0.112 120.533 120.570 -0.249 0.000 2.233 102 I HA -0.251 3.919 4.170 0.000 0.000 0.243 102 I C 2.445 178.420 176.117 -0.235 0.000 1.093 102 I CA 1.779 62.927 61.300 -0.253 0.000 1.380 102 I CB -0.599 37.284 38.000 -0.196 0.000 1.067 102 I HN 0.358 nan 8.210 nan 0.000 0.413 103 T N -1.862 112.591 114.554 -0.168 0.000 2.995 103 T HA 0.080 4.431 4.350 0.000 0.000 0.269 103 T C 1.666 176.306 174.700 -0.099 0.000 1.091 103 T CA 0.867 62.893 62.100 -0.125 0.000 1.128 103 T CB 0.037 68.856 68.868 -0.082 0.000 0.891 103 T HN 0.574 nan 8.240 nan 0.000 0.492 104 G N 0.566 109.303 108.800 -0.105 0.000 2.176 104 G HA2 -0.149 3.811 3.960 0.000 0.000 0.232 104 G HA3 -0.149 3.811 3.960 0.000 0.000 0.232 104 G C 1.135 176.017 174.900 -0.030 0.000 0.986 104 G CA 0.283 45.351 45.100 -0.053 0.000 0.643 104 G HN 1.102 nan 8.290 nan 0.000 0.522 105 A N -0.329 122.466 122.820 -0.042 0.000 2.076 105 A HA 0.427 4.748 4.320 0.000 0.000 0.220 105 A C 1.544 179.119 177.584 -0.014 0.000 1.160 105 A CA 2.167 54.191 52.037 -0.022 0.000 0.653 105 A CB -0.034 18.952 19.000 -0.025 0.000 0.801 105 A HN 1.096 nan 8.150 nan 0.000 0.455 106 S N 0.476 116.158 115.700 -0.030 0.000 2.399 106 S HA 0.289 4.759 4.470 0.000 0.000 0.215 106 S C -0.650 173.945 174.600 -0.009 0.000 1.456 106 S CA -0.509 57.682 58.200 -0.014 0.000 1.199 106 S CB 0.691 63.873 63.200 -0.029 0.000 1.063 106 S HN 0.435 nan 8.310 nan 0.000 0.476 107 Q N 2.684 122.496 119.800 0.022 0.000 2.368 107 Q HA 0.568 4.909 4.340 0.000 0.000 0.256 107 Q C -0.429 175.603 176.000 0.054 0.000 0.980 107 Q CA -0.292 55.536 55.803 0.042 0.000 0.887 107 Q CB 1.477 30.248 28.738 0.056 0.000 1.221 107 Q HN 0.735 nan 8.270 nan 0.000 0.458 108 A N 3.380 126.233 122.820 0.055 0.000 2.302 108 A HA 0.321 4.641 4.320 0.000 0.000 0.285 108 A C 0.269 177.886 177.584 0.054 0.000 1.105 108 A CA -0.363 51.709 52.037 0.060 0.000 0.816 108 A CB 0.495 19.533 19.000 0.063 0.000 1.067 108 A HN 0.712 nan 8.150 nan 0.000 0.489 109 D N -0.088 120.339 120.400 0.045 0.000 2.392 109 D HA 0.408 5.048 4.640 0.000 0.000 0.206 109 D C 0.451 176.767 176.300 0.026 0.000 1.046 109 D CA 1.494 55.510 54.000 0.027 0.000 0.865 109 D CB 0.701 41.503 40.800 0.004 0.000 0.969 109 D HN 0.761 nan 8.370 nan 0.000 0.509 110 A N -0.111 122.730 122.820 0.036 0.000 2.566 110 A HA 0.734 5.054 4.320 0.000 0.000 0.290 110 A C -1.740 175.861 177.584 0.029 0.000 1.071 110 A CA -0.235 51.821 52.037 0.031 0.000 0.658 110 A CB 1.209 20.219 19.000 0.016 0.000 1.285 110 A HN 0.046 nan 8.150 nan 0.000 0.427 111 A N 0.073 122.905 122.820 0.020 0.000 2.515 111 A HA 0.789 5.109 4.320 0.000 0.000 0.298 111 A C -1.216 176.354 177.584 -0.023 0.000 1.059 111 A CA -0.364 51.682 52.037 0.015 0.000 0.698 111 A CB 0.914 19.945 19.000 0.051 0.000 1.289 111 A HN 0.939 nan 8.150 nan 0.000 0.404 112 I N 2.237 122.790 120.570 -0.028 0.000 2.362 112 I HA 0.308 4.479 4.170 0.000 0.000 0.289 112 I C -0.509 175.591 176.117 -0.029 0.000 0.994 112 I CA -0.413 60.858 61.300 -0.048 0.000 1.158 112 I CB 1.588 39.559 38.000 -0.047 0.000 1.315 112 I HN 0.526 nan 8.210 nan 0.000 0.451 113 L N 7.965 129.160 121.223 -0.046 0.000 2.264 113 L HA 0.435 4.775 4.340 0.000 0.000 0.287 113 L C -0.639 176.241 176.870 0.017 0.000 1.039 113 L CA -0.577 54.257 54.840 -0.010 0.000 0.829 113 L CB 1.226 43.256 42.059 -0.048 0.000 1.211 113 L HN 0.320 nan 8.230 nan 0.000 0.427 114 V N 6.187 126.135 119.914 0.057 0.000 2.427 114 V HA 0.185 4.305 4.120 0.000 0.000 0.268 114 V C 0.183 176.379 176.094 0.170 0.000 1.046 114 V CA -0.335 62.019 62.300 0.089 0.000 0.970 114 V CB 1.379 33.255 31.823 0.089 0.000 1.001 114 V HN 0.475 nan 8.190 nan 0.000 0.476 115 V N 4.211 124.225 119.914 0.167 0.000 2.376 115 V HA 0.330 4.451 4.120 0.000 0.000 0.287 115 V C 0.340 176.508 176.094 0.123 0.000 1.015 115 V CA -0.419 62.031 62.300 0.250 0.000 0.834 115 V CB 1.711 33.667 31.823 0.222 0.000 1.001 115 V HN 0.832 nan 8.190 nan 0.000 0.428 116 S N 3.753 119.427 115.700 -0.043 0.000 2.488 116 S HA 0.404 4.875 4.470 0.000 0.000 0.278 116 S C 1.252 175.757 174.600 -0.157 0.000 1.259 116 S CA 0.130 58.156 58.200 -0.291 0.000 1.061 116 S CB 1.060 63.779 63.200 -0.801 0.000 0.910 116 S HN 1.030 nan 8.310 nan 0.000 0.491 117 A N 4.835 127.593 122.820 -0.102 0.000 2.238 117 A HA 0.183 4.503 4.320 0.000 0.000 0.208 117 A C 1.012 178.547 177.584 -0.081 0.000 1.177 117 A CA 0.118 52.098 52.037 -0.095 0.000 0.804 117 A CB -0.226 18.732 19.000 -0.071 0.000 0.823 117 A HN 0.804 nan 8.150 nan 0.000 0.482 118 K N 0.904 121.243 120.400 -0.102 0.000 2.448 118 K HA 0.077 4.397 4.320 0.000 0.000 0.278 118 K C -0.332 176.240 176.600 -0.048 0.000 1.009 118 K CA -0.198 56.039 56.287 -0.084 0.000 0.995 118 K CB 0.296 32.736 32.500 -0.100 0.000 0.917 118 K HN 0.003 nan 8.250 nan 0.000 0.481 119 K N 2.094 122.473 120.400 -0.035 0.000 2.524 119 K HA 0.005 4.325 4.320 0.000 0.000 0.279 119 K C 0.955 177.545 176.600 -0.016 0.000 0.993 119 K CA 1.539 57.818 56.287 -0.014 0.000 1.030 119 K CB 0.355 32.844 32.500 -0.019 0.000 0.891 119 K HN 0.841 nan 8.250 nan 0.000 0.488 120 G N 2.545 111.341 108.800 -0.007 0.000 3.909 120 G HA2 -0.395 3.566 3.960 0.000 0.000 0.218 120 G HA3 -0.395 3.566 3.960 0.000 0.000 0.218 120 G C 1.219 176.094 174.900 -0.042 0.000 1.404 120 G CA 0.405 45.489 45.100 -0.026 0.000 0.905 120 G HN 0.644 nan 8.290 nan 0.000 0.589 121 E N -0.335 119.840 120.200 -0.042 0.000 2.070 121 E HA -0.198 4.152 4.350 0.000 0.000 0.197 121 E C 2.029 178.605 176.600 -0.039 0.000 1.004 121 E CA 1.795 58.160 56.400 -0.057 0.000 0.805 121 E CB -0.233 29.364 29.700 -0.171 0.000 0.744 121 E HN 0.681 nan 8.360 nan 0.000 0.451 122 Y N 2.195 122.409 120.300 -0.142 0.000 2.070 122 Y HA -0.253 4.297 4.550 0.000 0.000 0.280 122 Y C 1.927 177.786 175.900 -0.068 0.000 1.148 122 Y CA 2.075 60.130 58.100 -0.075 0.000 1.125 122 Y CB -0.369 38.039 38.460 -0.087 0.000 0.975 122 Y HN -0.075 nan 8.280 nan 0.000 0.492 123 E N 0.681 120.667 120.200 -0.356 0.000 2.130 123 E HA -0.207 4.143 4.350 0.000 0.000 0.196 123 E C 2.398 178.777 176.600 -0.368 0.000 0.998 123 E CA 1.590 57.736 56.400 -0.425 0.000 0.806 123 E CB -0.718 28.879 29.700 -0.172 0.000 0.738 123 E HN 0.585 nan 8.360 nan 0.000 0.459 124 A N 0.619 123.267 122.820 -0.286 0.000 1.883 124 A HA -0.109 4.211 4.320 0.000 0.000 0.217 124 A C 2.499 179.770 177.584 -0.522 0.000 1.186 124 A CA 1.892 53.732 52.037 -0.328 0.000 0.624 124 A CB -1.320 17.504 19.000 -0.293 0.000 0.822 124 A HN 0.371 nan 8.150 nan 0.000 0.444 125 G N -1.749 106.674 108.800 -0.627 0.000 2.443 125 G HA2 -0.107 3.854 3.960 0.000 0.000 0.219 125 G HA3 -0.107 3.854 3.960 0.000 0.000 0.219 125 G C 1.336 175.998 174.900 -0.398 0.000 1.131 125 G CA 1.097 45.840 45.100 -0.595 0.000 0.775 125 G HN 0.349 nan 8.290 nan 0.000 0.547 126 M N 0.681 119.974 119.600 -0.511 0.000 2.502 126 M HA 0.268 4.748 4.480 0.000 0.000 0.243 126 M C 1.430 177.475 176.300 -0.425 0.000 1.130 126 M CA -0.102 54.873 55.300 -0.543 0.000 1.055 126 M CB -0.092 32.048 32.600 -0.767 0.000 1.457 126 M HN 0.142 nan 8.290 nan 0.000 0.488 127 S N -0.273 115.233 115.700 -0.323 0.000 2.641 127 S HA 0.153 4.623 4.470 0.000 0.000 0.261 127 S C 1.277 175.781 174.600 -0.159 0.000 1.257 127 S CA -0.365 57.709 58.200 -0.211 0.000 0.983 127 S CB 1.214 64.317 63.200 -0.161 0.000 0.990 127 S HN 0.119 nan 8.310 nan 0.000 0.572 128 V N 1.390 121.252 119.914 -0.086 0.000 3.186 128 V HA -0.037 4.083 4.120 0.000 0.000 0.270 128 V C 0.659 176.729 176.094 -0.039 0.000 1.149 128 V CA 1.891 64.168 62.300 -0.038 0.000 1.160 128 V CB -0.932 30.894 31.823 0.004 0.000 0.758 128 V HN 0.778 nan 8.190 nan 0.000 0.516 129 E N -0.342 119.823 120.200 -0.057 0.000 2.603 129 E HA 0.320 4.670 4.350 0.000 0.000 0.211 129 E C 0.601 177.185 176.600 -0.028 0.000 0.995 129 E CA 0.371 56.750 56.400 -0.035 0.000 0.990 129 E CB 0.678 30.363 29.700 -0.025 0.000 1.036 129 E HN 0.472 nan 8.360 nan 0.000 0.475 130 G N 0.483 109.240 108.800 -0.073 0.000 2.371 130 G HA2 0.239 4.199 3.960 0.000 0.000 0.326 130 G HA3 0.239 4.199 3.960 0.000 0.000 0.326 130 G C 0.068 174.921 174.900 -0.078 0.000 1.127 130 G CA -0.536 44.543 45.100 -0.035 0.000 0.885 130 G HN -0.128 nan 8.290 nan 0.000 0.477 131 Q N 0.465 120.263 119.800 -0.003 0.000 2.488 131 Q HA 0.026 4.366 4.340 0.000 0.000 0.211 131 Q C 2.434 178.158 176.000 -0.459 0.000 0.967 131 Q CA 0.903 56.435 55.803 -0.451 0.000 0.926 131 Q CB 0.054 28.351 28.738 -0.736 0.000 0.992 131 Q HN 0.609 nan 8.270 nan 0.000 0.506 132 T N 0.285 114.705 114.554 -0.223 0.000 2.770 132 T HA -0.140 4.210 4.350 0.000 0.000 0.263 132 T C 1.679 176.289 174.700 -0.150 0.000 1.039 132 T CA 1.523 63.537 62.100 -0.144 0.000 1.142 132 T CB -0.079 68.715 68.868 -0.123 0.000 0.868 132 T HN 0.494 nan 8.240 nan 0.000 0.435 133 R N 1.446 121.782 120.500 -0.274 0.000 2.115 133 R HA 0.132 4.472 4.340 0.000 0.000 0.226 133 R C 2.216 178.499 176.300 -0.028 0.000 1.100 133 R CA 1.289 57.200 56.100 -0.316 0.000 0.980 133 R CB -0.297 29.586 30.300 -0.695 0.000 0.875 133 R HN 0.362 nan 8.270 nan 0.000 0.445 134 E N 0.281 120.426 120.200 -0.092 0.000 2.072 134 E HA -0.179 4.171 4.350 0.000 0.000 0.190 134 E C 1.259 177.937 176.600 0.130 0.000 0.982 134 E CA 0.924 57.316 56.400 -0.015 0.000 0.803 134 E CB 0.034 29.677 29.700 -0.094 0.000 0.755 134 E HN 0.529 nan 8.360 nan 0.000 0.453 135 H N 0.323 119.431 119.070 0.063 0.000 2.462 135 H HA 0.016 4.572 4.556 0.000 0.000 0.292 135 H C 2.147 177.547 175.328 0.120 0.000 1.049 135 H CA 0.729 56.834 56.048 0.096 0.000 1.334 135 H CB -0.116 29.683 29.762 0.063 0.000 1.404 135 H HN 0.250 nan 8.280 nan 0.000 0.544 136 I N 0.187 120.891 120.570 0.222 0.000 2.142 136 I HA -0.236 3.934 4.170 0.000 0.000 0.240 136 I C 2.139 178.436 176.117 0.300 0.000 1.078 136 I CA 1.154 62.572 61.300 0.196 0.000 1.343 136 I CB -0.215 37.910 38.000 0.208 0.000 1.046 136 I HN 0.118 nan 8.210 nan 0.000 0.405 137 I N 0.164 120.865 120.570 0.218 0.000 2.264 137 I HA -0.304 3.866 4.170 0.000 0.000 0.248 137 I C 2.501 178.739 176.117 0.202 0.000 1.111 137 I CA 1.070 62.472 61.300 0.169 0.000 1.382 137 I CB -0.296 37.744 38.000 0.067 0.000 1.060 137 I HN 0.255 nan 8.210 nan 0.000 0.418 138 L N 1.279 122.632 121.223 0.216 0.000 2.046 138 L HA -0.167 4.173 4.340 0.000 0.000 0.208 138 L C 2.581 179.562 176.870 0.184 0.000 1.077 138 L CA 2.177 57.131 54.840 0.190 0.000 0.747 138 L CB -0.830 41.364 42.059 0.225 0.000 0.896 138 L HN 0.194 nan 8.230 nan 0.000 0.432 139 A N -0.705 122.268 122.820 0.255 0.000 1.933 139 A HA -0.265 4.056 4.320 0.000 0.000 0.218 139 A C 2.342 180.050 177.584 0.208 0.000 1.175 139 A CA 1.967 54.173 52.037 0.283 0.000 0.628 139 A CB -0.610 18.642 19.000 0.419 0.000 0.814 139 A HN 0.442 nan 8.150 nan 0.000 0.444 140 K N -0.307 120.224 120.400 0.219 0.000 2.026 140 K HA -0.095 4.226 4.320 0.000 0.000 0.208 140 K C 1.963 178.548 176.600 -0.026 0.000 1.048 140 K CA 2.346 58.570 56.287 -0.105 0.000 0.929 140 K CB -1.011 31.497 32.500 0.013 0.000 0.713 140 K HN 0.384 nan 8.250 nan 0.000 0.439 141 T N 0.959 115.557 114.554 0.074 0.000 2.759 141 T HA -0.116 4.234 4.350 0.000 0.000 0.269 141 T C 1.377 176.162 174.700 0.141 0.000 1.042 141 T CA 1.486 63.645 62.100 0.098 0.000 1.140 141 T CB -0.103 68.826 68.868 0.103 0.000 0.864 141 T HN 0.135 nan 8.240 nan 0.000 0.455 142 M N 0.044 119.721 119.600 0.128 0.000 2.556 142 M HA 0.282 4.762 4.480 0.000 0.000 0.245 142 M C 1.836 178.241 176.300 0.175 0.000 1.128 142 M CA 0.327 55.744 55.300 0.194 0.000 1.069 142 M CB -1.074 31.592 32.600 0.110 0.000 1.469 142 M HN 0.449 nan 8.290 nan 0.000 0.494 143 G N 1.578 110.406 108.800 0.046 0.000 2.160 143 G HA2 -0.227 3.733 3.960 0.000 0.000 0.244 143 G HA3 -0.227 3.733 3.960 0.000 0.000 0.244 143 G C 0.022 174.898 174.900 -0.039 0.000 1.022 143 G CA -0.219 44.849 45.100 -0.054 0.000 0.741 143 G HN 0.452 nan 8.290 nan 0.000 0.508 144 L N 0.876 122.108 121.223 0.015 0.000 2.401 144 L HA 0.218 4.558 4.340 0.000 0.000 0.283 144 L C 1.537 178.467 176.870 0.100 0.000 1.151 144 L CA -0.445 54.439 54.840 0.073 0.000 0.942 144 L CB 0.681 42.819 42.059 0.131 0.000 1.283 144 L HN 0.146 nan 8.230 nan 0.000 0.442 145 D N 1.821 122.239 120.400 0.030 0.000 2.097 145 D HA -0.127 4.513 4.640 0.000 0.000 0.197 145 D C 0.716 177.105 176.300 0.147 0.000 0.984 145 D CA 1.232 55.262 54.000 0.050 0.000 0.826 145 D CB 0.411 41.207 40.800 -0.006 0.000 0.973 145 D HN 0.462 nan 8.370 nan 0.000 0.460 146 Q N 0.319 120.172 119.800 0.089 0.000 2.344 146 Q HA 0.297 4.638 4.340 0.000 0.000 0.253 146 Q C -0.797 175.230 176.000 0.045 0.000 1.050 146 Q CA -0.255 55.583 55.803 0.058 0.000 0.912 146 Q CB 1.267 30.026 28.738 0.035 0.000 1.258 146 Q HN 0.138 nan 8.270 nan 0.000 0.443 147 L N 4.409 125.634 121.223 0.002 0.000 2.381 147 L HA 0.515 4.855 4.340 0.000 0.000 0.274 147 L C -1.331 175.412 176.870 -0.212 0.000 0.988 147 L CA -0.450 54.341 54.840 -0.082 0.000 0.824 147 L CB 1.609 43.601 42.059 -0.111 0.000 1.263 147 L HN 0.511 nan 8.230 nan 0.000 0.410 148 I N 5.966 126.416 120.570 -0.201 0.000 2.354 148 I HA 0.328 4.498 4.170 0.000 0.000 0.286 148 I C -0.614 175.350 176.117 -0.256 0.000 1.007 148 I CA -0.858 60.285 61.300 -0.262 0.000 1.167 148 I CB 1.679 39.588 38.000 -0.152 0.000 1.320 148 I HN 0.234 nan 8.210 nan 0.000 0.458 149 V N 6.240 125.909 119.914 -0.409 0.000 2.389 149 V HA 0.355 4.475 4.120 0.000 0.000 0.264 149 V C 0.712 176.747 176.094 -0.099 0.000 1.049 149 V CA -0.427 61.678 62.300 -0.326 0.000 0.932 149 V CB 1.026 32.439 31.823 -0.684 0.000 1.011 149 V HN 0.809 nan 8.190 nan 0.000 0.475 150 A N 5.577 128.384 122.820 -0.021 0.000 2.366 150 A HA 0.586 4.906 4.320 0.000 0.000 0.322 150 A C -0.111 177.516 177.584 0.073 0.000 1.397 150 A CA -0.421 51.636 52.037 0.032 0.000 0.984 150 A CB 0.420 19.424 19.000 0.008 0.000 1.149 150 A HN 0.669 nan 8.150 nan 0.000 0.540 151 V N 4.414 124.406 119.914 0.130 0.000 2.287 151 V HA 0.028 4.148 4.120 0.000 0.000 0.246 151 V C 0.744 176.878 176.094 0.066 0.000 1.165 151 V CA -0.368 62.013 62.300 0.134 0.000 1.088 151 V CB -0.864 31.115 31.823 0.260 0.000 1.242 151 V HN 0.894 nan 8.190 nan 0.000 0.497 152 N N 3.329 122.046 118.700 0.029 0.000 2.347 152 N HA 0.184 4.924 4.740 0.000 0.000 0.253 152 N C 0.594 176.077 175.510 -0.044 0.000 1.274 152 N CA -0.237 52.807 53.050 -0.009 0.000 0.941 152 N CB 0.259 38.747 38.487 0.002 0.000 1.200 152 N HN 0.559 nan 8.380 nan 0.000 0.514 153 K N -0.112 120.249 120.400 -0.064 0.000 3.069 153 K HA -0.187 4.133 4.320 0.000 0.000 0.267 153 K C 0.492 177.009 176.600 -0.138 0.000 1.082 153 K CA 0.254 56.483 56.287 -0.098 0.000 0.782 153 K CB -0.988 31.452 32.500 -0.101 0.000 1.230 153 K HN 0.501 nan 8.250 nan 0.000 0.488 154 M N 0.706 120.224 119.600 -0.138 0.000 2.358 154 M HA -0.139 4.341 4.480 0.000 0.000 0.264 154 M C 1.774 177.754 176.300 -0.533 0.000 1.064 154 M CA 1.839 57.026 55.300 -0.188 0.000 1.093 154 M CB -0.674 31.893 32.600 -0.055 0.000 1.401 154 M HN 0.347 nan 8.290 nan 0.000 0.440 155 D N -0.255 119.773 120.400 -0.619 0.000 2.183 155 D HA -0.133 4.507 4.640 0.000 0.000 0.203 155 D C 1.687 177.733 176.300 -0.423 0.000 0.969 155 D CA 0.806 54.298 54.000 -0.847 0.000 0.842 155 D CB -0.636 39.937 40.800 -0.378 0.000 0.957 155 D HN 0.367 nan 8.370 nan 0.000 0.484 156 L N 1.539 122.607 121.223 -0.258 0.000 2.627 156 L HA 0.117 4.457 4.340 0.000 0.000 0.232 156 L C 0.970 177.762 176.870 -0.131 0.000 1.150 156 L CA -0.095 54.651 54.840 -0.155 0.000 0.917 156 L CB -0.548 41.444 42.059 -0.111 0.000 1.104 156 L HN 0.050 nan 8.230 nan 0.000 0.445 157 T N -2.571 111.889 114.554 -0.156 0.000 2.732 157 T HA 0.223 4.573 4.350 0.000 0.000 0.287 157 T C 0.117 174.774 174.700 -0.071 0.000 0.993 157 T CA -0.580 61.461 62.100 -0.099 0.000 0.966 157 T CB 1.164 69.984 68.868 -0.081 0.000 1.047 157 T HN 0.118 nan 8.240 nan 0.000 0.527 158 E N 2.009 122.180 120.200 -0.048 0.000 2.267 158 E HA 0.324 4.674 4.350 0.000 0.000 0.248 158 E C -2.317 174.269 176.600 -0.023 0.000 0.899 158 E CA -1.809 54.572 56.400 -0.031 0.000 0.764 158 E CB 1.442 31.125 29.700 -0.029 0.000 1.227 158 E HN 0.574 nan 8.360 nan 0.000 0.421 159 P HA 0.290 nan 4.420 nan 0.000 0.276 159 P C -2.706 174.599 177.300 0.008 0.000 1.261 159 P CA -1.865 61.239 63.100 0.008 0.000 0.800 159 P CB 0.199 31.917 31.700 0.030 0.000 1.066 160 P HA -0.035 nan 4.420 nan 0.000 0.265 160 P C -0.701 176.642 177.300 0.072 0.000 1.187 160 P CA 0.699 63.748 63.100 -0.084 0.000 0.766 160 P CB -0.401 31.282 31.700 -0.028 0.000 0.820 161 Y N -0.903 119.461 120.300 0.107 0.000 3.389 161 Y HA -0.253 4.297 4.550 0.000 0.000 0.213 161 Y C 0.566 176.684 175.900 0.363 0.000 1.272 161 Y CA 0.344 58.575 58.100 0.219 0.000 1.444 161 Y CB -2.639 35.919 38.460 0.163 0.000 1.445 161 Y HN 0.356 nan 8.280 nan 0.000 0.583 162 D N 1.103 121.635 120.400 0.219 0.000 2.382 162 D HA 0.072 4.712 4.640 0.000 0.000 0.259 162 D C 1.236 177.476 176.300 -0.100 0.000 1.224 162 D CA 0.508 54.543 54.000 0.058 0.000 0.894 162 D CB 0.754 41.547 40.800 -0.012 0.000 1.127 162 D HN 0.575 nan 8.370 nan 0.000 0.487 163 E N 3.652 123.517 120.200 -0.559 0.000 2.208 163 E HA -0.184 4.166 4.350 0.000 0.000 0.193 163 E C 1.400 177.704 176.600 -0.493 0.000 0.988 163 E CA 0.552 56.242 56.400 -1.184 0.000 0.828 163 E CB 0.270 28.926 29.700 -1.740 0.000 0.763 163 E HN 0.282 nan 8.360 nan 0.000 0.478 164 K N 0.928 121.144 120.400 -0.307 0.000 1.985 164 K HA -0.187 4.133 4.320 0.000 0.000 0.210 164 K C 2.288 178.793 176.600 -0.158 0.000 1.047 164 K CA 1.434 57.604 56.287 -0.194 0.000 0.932 164 K CB -0.273 32.142 32.500 -0.141 0.000 0.716 164 K HN -0.012 nan 8.250 nan 0.000 0.439 165 R N 0.228 120.653 120.500 -0.125 0.000 2.103 165 R HA -0.208 4.132 4.340 0.000 0.000 0.242 165 R C 2.271 178.490 176.300 -0.135 0.000 1.142 165 R CA 1.781 57.808 56.100 -0.120 0.000 0.960 165 R CB -1.060 29.190 30.300 -0.082 0.000 0.858 165 R HN 0.327 nan 8.270 nan 0.000 0.439 166 Y N 1.166 121.355 120.300 -0.184 0.000 2.070 166 Y HA -0.177 4.373 4.550 0.000 0.000 0.279 166 Y C 1.702 177.499 175.900 -0.171 0.000 1.134 166 Y CA 2.066 60.086 58.100 -0.133 0.000 1.113 166 Y CB -0.224 38.235 38.460 -0.002 0.000 0.981 166 Y HN -0.003 nan 8.280 nan 0.000 0.487 167 K N 0.338 120.569 120.400 -0.281 0.000 2.160 167 K HA -0.263 4.057 4.320 0.000 0.000 0.206 167 K C 2.106 178.504 176.600 -0.335 0.000 1.047 167 K CA 1.727 57.815 56.287 -0.331 0.000 0.930 167 K CB -0.332 32.070 32.500 -0.164 0.000 0.720 167 K HN 0.606 nan 8.250 nan 0.000 0.450 168 E N 1.574 121.609 120.200 -0.275 0.000 2.017 168 E HA -0.199 4.152 4.350 0.000 0.000 0.193 168 E C 2.091 178.516 176.600 -0.291 0.000 0.997 168 E CA 1.109 57.371 56.400 -0.230 0.000 0.804 168 E CB -0.119 29.469 29.700 -0.186 0.000 0.757 168 E HN 0.240 nan 8.360 nan 0.000 0.448 169 I N 1.053 121.376 120.570 -0.412 0.000 2.208 169 I HA -0.271 3.900 4.170 0.000 0.000 0.245 169 I C 2.606 178.474 176.117 -0.415 0.000 1.097 169 I CA 0.854 61.854 61.300 -0.499 0.000 1.363 169 I CB -0.247 37.343 38.000 -0.683 0.000 1.051 169 I HN 0.094 nan 8.210 nan 0.000 0.413 170 V N 1.009 120.543 119.914 -0.633 0.000 2.287 170 V HA -0.357 3.763 4.120 0.000 0.000 0.248 170 V C 2.231 177.913 176.094 -0.686 0.000 1.053 170 V CA 2.494 64.201 62.300 -0.988 0.000 1.027 170 V CB -0.684 30.475 31.823 -1.107 0.000 0.646 170 V HN 0.504 nan 8.190 nan 0.000 0.447 171 D N -0.869 119.278 120.400 -0.422 0.000 2.087 171 D HA -0.208 4.433 4.640 0.000 0.000 0.192 171 D C 2.249 178.478 176.300 -0.118 0.000 0.993 171 D CA 1.444 55.303 54.000 -0.235 0.000 0.828 171 D CB -0.082 40.617 40.800 -0.168 0.000 0.968 171 D HN 0.331 nan 8.370 nan 0.000 0.448 172 Q N 0.235 119.989 119.800 -0.077 0.000 2.014 172 Q HA -0.140 4.200 4.340 0.000 0.000 0.207 172 Q C 2.630 178.699 176.000 0.115 0.000 0.993 172 Q CA 1.130 56.958 55.803 0.041 0.000 0.850 172 Q CB -1.098 27.700 28.738 0.099 0.000 0.916 172 Q HN 0.314 nan 8.270 nan 0.000 0.417 173 V N 1.160 121.142 119.914 0.113 0.000 2.287 173 V HA -0.262 3.858 4.120 0.000 0.000 0.248 173 V C 2.480 178.734 176.094 0.266 0.000 1.053 173 V CA 2.020 64.461 62.300 0.235 0.000 1.027 173 V CB -0.769 31.242 31.823 0.313 0.000 0.646 173 V HN 0.307 nan 8.190 nan 0.000 0.447 174 S N -0.743 115.042 115.700 0.142 0.000 2.370 174 S HA -0.262 4.208 4.470 0.000 0.000 0.226 174 S C 1.998 176.683 174.600 0.142 0.000 1.033 174 S CA 1.866 60.160 58.200 0.156 0.000 1.011 174 S CB -0.264 62.933 63.200 -0.006 0.000 0.852 174 S HN 0.591 nan 8.310 nan 0.000 0.457 175 K N 0.396 120.868 120.400 0.120 0.000 2.001 175 K HA -0.039 4.281 4.320 0.000 0.000 0.208 175 K C 1.819 178.531 176.600 0.186 0.000 1.048 175 K CA 1.434 57.797 56.287 0.126 0.000 0.932 175 K CB -0.410 32.153 32.500 0.105 0.000 0.715 175 K HN 0.322 nan 8.250 nan 0.000 0.437 176 F N 1.673 121.691 119.950 0.113 0.000 2.192 176 F HA -0.251 4.276 4.527 0.000 0.000 0.301 176 F C 1.880 177.809 175.800 0.215 0.000 1.079 176 F CA 1.527 59.625 58.000 0.163 0.000 1.303 176 F CB -0.095 38.967 39.000 0.104 0.000 1.024 176 F HN -0.005 nan 8.300 nan 0.000 0.494 177 M N -0.292 119.385 119.600 0.129 0.000 2.077 177 M HA -0.181 4.299 4.480 0.000 0.000 0.261 177 M C 2.340 178.717 176.300 0.129 0.000 1.070 177 M CA 1.800 57.148 55.300 0.078 0.000 1.125 177 M CB -0.496 32.154 32.600 0.082 0.000 1.339 177 M HN -0.004 nan 8.290 nan 0.000 0.409 178 R N -0.491 120.080 120.500 0.119 0.000 2.148 178 R HA -0.079 4.262 4.340 0.000 0.000 0.227 178 R C 2.332 178.659 176.300 0.044 0.000 1.103 178 R CA 1.330 57.488 56.100 0.096 0.000 0.983 178 R CB -0.396 29.953 30.300 0.081 0.000 0.874 178 R HN 0.293 nan 8.270 nan 0.000 0.451 179 S N -0.364 115.352 115.700 0.027 0.000 2.500 179 S HA -0.127 4.343 4.470 0.000 0.000 0.239 179 S C 0.413 174.905 174.600 -0.180 0.000 0.989 179 S CA 0.971 59.149 58.200 -0.037 0.000 0.951 179 S CB 0.086 63.311 63.200 0.043 0.000 0.759 179 S HN 0.371 nan 8.310 nan 0.000 0.523 180 Y N -0.096 120.082 120.300 -0.204 0.000 2.721 180 Y HA 0.395 4.945 4.550 0.000 0.000 0.251 180 Y C 1.428 177.298 175.900 -0.051 0.000 1.136 180 Y CA -0.443 57.563 58.100 -0.156 0.000 1.142 180 Y CB 0.530 38.834 38.460 -0.261 0.000 1.212 180 Y HN 0.188 nan 8.280 nan 0.000 0.565 181 G N 0.236 109.073 108.800 0.063 0.000 2.196 181 G HA2 -0.381 3.579 3.960 0.000 0.000 0.268 181 G HA3 -0.381 3.579 3.960 0.000 0.000 0.268 181 G C 0.213 175.155 174.900 0.069 0.000 0.975 181 G CA 0.042 45.169 45.100 0.044 0.000 0.648 181 G HN 0.285 nan 8.290 nan 0.000 0.538 182 F N 1.759 121.724 119.950 0.026 0.000 2.571 182 F HA 0.267 4.795 4.527 0.000 0.000 0.384 182 F C 1.522 177.339 175.800 0.028 0.000 1.058 182 F CA 0.375 58.392 58.000 0.028 0.000 1.200 182 F CB 0.118 39.136 39.000 0.031 0.000 1.077 182 F HN 0.172 nan 8.300 nan 0.000 0.558 183 N N 2.252 121.067 118.700 0.192 0.000 2.096 183 N HA -0.274 4.466 4.740 0.000 0.000 0.195 183 N C 1.256 176.890 175.510 0.205 0.000 1.017 183 N CA 2.225 55.371 53.050 0.161 0.000 0.870 183 N CB 0.016 38.546 38.487 0.072 0.000 1.024 183 N HN 0.919 nan 8.380 nan 0.000 0.434 184 T N -1.931 112.800 114.554 0.296 0.000 11.216 184 T HA -0.346 4.004 4.350 0.000 0.000 0.398 184 T C 0.894 175.680 174.700 0.143 0.000 1.598 184 T CA 1.744 63.961 62.100 0.194 0.000 2.576 184 T CB -2.018 66.951 68.868 0.168 0.000 2.740 184 T HN 0.791 nan 8.240 nan 0.000 0.942 185 N N 0.955 119.728 118.700 0.122 0.000 2.149 185 N HA -0.116 4.624 4.740 0.000 0.000 0.188 185 N C 1.245 176.805 175.510 0.083 0.000 1.019 185 N CA 1.291 54.397 53.050 0.093 0.000 0.857 185 N CB -0.176 38.355 38.487 0.073 0.000 0.997 185 N HN 0.407 nan 8.380 nan 0.000 0.426 186 K N 0.459 120.911 120.400 0.086 0.000 2.498 186 K HA 0.243 4.563 4.320 0.000 0.000 0.207 186 K C -0.934 175.673 176.600 0.012 0.000 1.033 186 K CA -0.233 56.089 56.287 0.058 0.000 1.138 186 K CB 1.268 33.808 32.500 0.067 0.000 0.860 186 K HN 0.027 nan 8.250 nan 0.000 0.490 187 V N 1.806 121.717 119.914 -0.005 0.000 2.398 187 V HA 0.329 4.449 4.120 0.000 0.000 0.286 187 V C -0.290 175.683 176.094 -0.202 0.000 1.026 187 V CA -0.784 61.423 62.300 -0.154 0.000 0.868 187 V CB 1.335 33.054 31.823 -0.173 0.000 0.982 187 V HN 0.190 nan 8.190 nan 0.000 0.443 188 R N 3.765 124.016 120.500 -0.415 0.000 2.670 188 R HA 0.746 5.086 4.340 0.000 0.000 0.289 188 R C -1.398 174.600 176.300 -0.504 0.000 0.965 188 R CA -0.332 55.506 56.100 -0.437 0.000 0.899 188 R CB 1.771 31.464 30.300 -1.013 0.000 1.173 188 R HN 0.514 nan 8.270 nan 0.000 0.456 189 F N 0.700 120.599 119.950 -0.086 0.000 2.492 189 F HA 0.731 5.258 4.527 0.000 0.000 0.327 189 F C -0.353 175.597 175.800 0.250 0.000 1.079 189 F CA -1.071 56.965 58.000 0.061 0.000 0.967 189 F CB 2.096 41.130 39.000 0.056 0.000 1.169 189 F HN 0.127 nan 8.300 nan 0.000 0.472 190 V N 4.366 124.496 119.914 0.361 0.000 2.752 190 V HA 0.536 4.656 4.120 0.000 0.000 0.302 190 V C -2.635 173.412 176.094 -0.078 0.000 1.133 190 V CA -2.241 60.107 62.300 0.079 0.000 0.919 190 V CB 2.591 34.540 31.823 0.211 0.000 1.026 190 V HN 0.527 nan 8.190 nan 0.000 0.429 191 P HA 0.355 nan 4.420 nan 0.000 0.276 191 P C -1.036 176.095 177.300 -0.282 0.000 1.235 191 P CA 0.151 62.994 63.100 -0.428 0.000 0.772 191 P CB 1.760 32.921 31.700 -0.899 0.000 0.871 192 V N 3.733 123.579 119.914 -0.114 0.000 3.147 192 V HA 0.344 4.464 4.120 0.000 0.000 0.306 192 V C -0.526 175.537 176.094 -0.051 0.000 1.209 192 V CA -0.750 61.496 62.300 -0.090 0.000 1.023 192 V CB 2.976 34.760 31.823 -0.065 0.000 1.059 192 V HN 0.213 nan 8.190 nan 0.000 0.435 193 V N 2.998 122.881 119.914 -0.051 0.000 2.398 193 V HA 0.450 4.570 4.120 0.000 0.000 0.282 193 V C 0.848 176.900 176.094 -0.071 0.000 1.014 193 V CA 0.371 62.648 62.300 -0.039 0.000 0.838 193 V CB 0.953 32.794 31.823 0.030 0.000 1.018 193 V HN 1.065 nan 8.190 nan 0.000 0.432 194 A N 6.559 129.340 122.820 -0.065 0.000 1.873 194 A HA -0.049 4.271 4.320 0.000 0.000 0.218 194 A C 0.032 177.527 177.584 -0.148 0.000 1.193 194 A CA 2.268 54.266 52.037 -0.065 0.000 0.629 194 A CB -1.350 17.646 19.000 -0.008 0.000 0.826 194 A HN 0.688 nan 8.150 nan 0.000 0.447 195 P HA -0.148 nan 4.420 nan 0.000 0.216 195 P C 1.643 178.632 177.300 -0.517 0.000 1.153 195 P CA 2.143 64.922 63.100 -0.536 0.000 0.858 195 P CB -0.127 31.376 31.700 -0.329 0.000 0.789 196 S N -2.898 112.663 115.700 -0.232 0.000 2.517 196 S HA 0.315 4.785 4.470 0.000 0.000 0.214 196 S C 1.629 176.234 174.600 0.008 0.000 0.991 196 S CA 0.368 58.508 58.200 -0.099 0.000 0.906 196 S CB -0.839 62.352 63.200 -0.015 0.000 0.789 196 S HN 0.281 nan 8.310 nan 0.000 0.513 197 G N 1.594 110.336 108.800 -0.097 0.000 2.143 197 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 197 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 197 G C -0.596 174.001 174.900 -0.505 0.000 0.991 197 G CA 0.013 45.003 45.100 -0.183 0.000 0.689 197 G HN 0.518 nan 8.290 nan 0.000 0.522 198 D N 0.790 121.015 120.400 -0.291 0.000 2.412 198 D HA 0.327 4.967 4.640 0.000 0.000 0.257 198 D C 1.332 177.463 176.300 -0.282 0.000 1.217 198 D CA 0.387 54.216 54.000 -0.285 0.000 0.897 198 D CB 0.247 41.012 40.800 -0.058 0.000 1.132 198 D HN 0.245 nan 8.370 nan 0.000 0.493 199 N N 1.418 119.927 118.700 -0.319 0.000 2.828 199 N HA -0.208 4.532 4.740 0.000 0.000 0.248 199 N C 0.615 176.027 175.510 -0.163 0.000 1.044 199 N CA 0.660 53.598 53.050 -0.187 0.000 0.851 199 N CB -1.039 37.354 38.487 -0.157 0.000 1.136 199 N HN 0.510 nan 8.380 nan 0.000 0.572 200 I N -1.138 119.284 120.570 -0.247 0.000 3.196 200 I HA 0.008 4.178 4.170 0.000 0.000 0.248 200 I C 1.619 177.644 176.117 -0.155 0.000 1.105 200 I CA 1.476 62.675 61.300 -0.169 0.000 1.482 200 I CB -0.023 37.876 38.000 -0.169 0.000 1.400 200 I HN 0.192 nan 8.210 nan 0.000 0.464 201 T N -1.314 113.110 114.554 -0.216 0.000 3.132 201 T HA 0.276 4.626 4.350 0.000 0.000 0.274 201 T C 0.002 174.699 174.700 -0.005 0.000 1.011 201 T CA -0.312 61.737 62.100 -0.084 0.000 0.899 201 T CB -0.360 68.496 68.868 -0.021 0.000 1.089 201 T HN 0.473 nan 8.240 nan 0.000 0.543 202 H N -1.560 117.489 119.070 -0.035 0.000 3.043 202 H HA 0.375 4.931 4.556 0.000 0.000 0.317 202 H C -1.605 173.693 175.328 -0.051 0.000 1.321 202 H CA -1.155 54.868 56.048 -0.041 0.000 1.243 202 H CB 0.602 30.337 29.762 -0.044 0.000 1.924 202 H HN -0.209 nan 8.280 nan 0.000 0.527 203 K N 1.220 121.677 120.400 0.094 0.000 2.436 203 K HA 0.003 4.323 4.320 0.000 0.000 0.275 203 K C 1.004 177.651 176.600 0.077 0.000 0.999 203 K CA 0.358 56.658 56.287 0.022 0.000 0.980 203 K CB 1.637 34.131 32.500 -0.009 0.000 0.919 203 K HN 0.699 nan 8.250 nan 0.000 0.484 204 S N 2.501 118.177 115.700 -0.041 0.000 2.345 204 S HA -0.157 4.313 4.470 0.000 0.000 0.220 204 S C 0.522 175.050 174.600 -0.120 0.000 1.031 204 S CA 1.883 60.035 58.200 -0.079 0.000 0.996 204 S CB 0.058 63.145 63.200 -0.188 0.000 0.882 204 S HN 0.740 nan 8.310 nan 0.000 0.445 205 E N -1.141 118.957 120.200 -0.169 0.000 4.459 205 E HA -0.173 4.177 4.350 0.000 0.000 0.312 205 E C 0.530 176.966 176.600 -0.273 0.000 0.670 205 E CA 1.181 57.473 56.400 -0.181 0.000 1.781 205 E CB -1.704 27.916 29.700 -0.133 0.000 1.823 205 E HN 0.540 nan 8.360 nan 0.000 0.453 206 N N -0.216 118.229 118.700 -0.425 0.000 2.398 206 N HA 0.064 4.804 4.740 0.000 0.000 0.188 206 N C 0.526 175.669 175.510 -0.612 0.000 1.122 206 N CA 0.730 53.353 53.050 -0.711 0.000 0.866 206 N CB 0.272 37.839 38.487 -1.533 0.000 0.970 206 N HN 0.304 nan 8.380 nan 0.000 0.462 207 M N 0.369 119.649 119.600 -0.532 0.000 3.053 207 M HA 0.226 4.707 4.480 0.000 0.000 0.293 207 M C 0.272 176.105 176.300 -0.779 0.000 1.470 207 M CA -0.294 54.492 55.300 -0.856 0.000 0.582 207 M CB 1.225 33.199 32.600 -1.044 0.000 1.435 207 M HN -0.335 nan 8.290 nan 0.000 0.451 208 K N 1.054 121.212 120.400 -0.403 0.000 2.519 208 K HA -0.064 4.256 4.320 0.000 0.000 0.196 208 K C 1.451 177.998 176.600 -0.087 0.000 1.041 208 K CA 0.977 57.144 56.287 -0.200 0.000 0.954 208 K CB -0.008 32.441 32.500 -0.085 0.000 0.774 208 K HN 0.739 nan 8.250 nan 0.000 0.480 209 W N -0.789 120.525 121.300 0.024 0.000 2.905 209 W HA 0.039 4.699 4.660 0.000 0.000 0.251 209 W C 0.216 176.778 176.519 0.073 0.000 1.305 209 W CA -0.600 56.769 57.345 0.039 0.000 1.465 209 W CB -0.622 28.867 29.460 0.049 0.000 1.122 209 W HN -0.155 nan 8.180 nan 0.000 0.659 210 Y N 3.694 123.822 120.300 -0.286 0.000 2.353 210 Y HA 0.262 4.812 4.550 0.000 0.000 0.340 210 Y C 0.049 175.856 175.900 -0.155 0.000 0.972 210 Y CA -0.740 57.227 58.100 -0.223 0.000 1.157 210 Y CB 0.426 38.515 38.460 -0.619 0.000 1.157 210 Y HN -0.120 nan 8.280 nan 0.000 0.495 211 N N 2.787 121.148 118.700 -0.566 0.000 2.235 211 N HA 0.228 4.968 4.740 0.000 0.000 0.231 211 N C 0.398 175.550 175.510 -0.596 0.000 1.177 211 N CA -0.087 52.689 53.050 -0.457 0.000 0.874 211 N CB 0.957 39.320 38.487 -0.208 0.000 1.097 211 N HN 0.732 nan 8.380 nan 0.000 0.518 212 G N 0.925 109.005 108.800 -1.201 0.000 2.588 212 G HA2 0.377 4.337 3.960 0.000 0.000 0.281 212 G HA3 0.377 4.337 3.960 0.000 0.000 0.281 212 G C -2.513 172.097 174.900 -0.485 0.000 1.236 212 G CA -1.031 43.630 45.100 -0.732 0.000 0.969 212 G HN -0.090 nan 8.290 nan 0.000 0.504 213 P HA 0.199 nan 4.420 nan 0.000 0.272 213 P C 0.545 177.697 177.300 -0.246 0.000 1.223 213 P CA -0.180 62.661 63.100 -0.433 0.000 0.784 213 P CB 0.662 31.827 31.700 -0.892 0.000 0.923 214 T N -0.289 114.174 114.554 -0.152 0.000 2.788 214 T HA 0.095 4.445 4.350 0.000 0.000 0.280 214 T C 1.194 175.896 174.700 0.003 0.000 0.984 214 T CA -0.697 61.388 62.100 -0.025 0.000 0.972 214 T CB 0.176 69.016 68.868 -0.047 0.000 1.039 214 T HN 0.144 nan 8.240 nan 0.000 0.530 215 L N 0.417 121.683 121.223 0.071 0.000 2.042 215 L HA -0.107 4.233 4.340 0.000 0.000 0.210 215 L C 2.490 179.424 176.870 0.107 0.000 1.076 215 L CA 2.382 57.302 54.840 0.133 0.000 0.749 215 L CB -1.355 40.722 42.059 0.030 0.000 0.893 215 L HN 1.060 nan 8.230 nan 0.000 0.432 216 E N -0.167 120.060 120.200 0.045 0.000 2.077 216 E HA -0.259 4.091 4.350 0.000 0.000 0.193 216 E C 1.870 178.534 176.600 0.105 0.000 0.989 216 E CA 1.575 58.023 56.400 0.080 0.000 0.800 216 E CB -0.050 29.683 29.700 0.056 0.000 0.746 216 E HN 0.596 nan 8.360 nan 0.000 0.452 217 E N -0.722 119.492 120.200 0.025 0.000 2.153 217 E HA -0.195 4.156 4.350 0.000 0.000 0.194 217 E C 1.837 178.464 176.600 0.044 0.000 0.988 217 E CA 0.956 57.348 56.400 -0.013 0.000 0.811 217 E CB -0.105 29.513 29.700 -0.136 0.000 0.746 217 E HN 0.389 nan 8.360 nan 0.000 0.466 218 Y N 0.599 120.955 120.300 0.094 0.000 2.263 218 Y HA -0.094 4.456 4.550 0.000 0.000 0.292 218 Y C 2.060 178.028 175.900 0.114 0.000 1.130 218 Y CA 0.626 58.782 58.100 0.093 0.000 1.179 218 Y CB -0.320 38.181 38.460 0.069 0.000 0.998 218 Y HN 0.007 nan 8.280 nan 0.000 0.532 219 L N -0.418 120.972 121.223 0.277 0.000 2.083 219 L HA -0.245 4.095 4.340 0.000 0.000 0.209 219 L C 1.811 178.963 176.870 0.470 0.000 1.083 219 L CA 1.441 56.440 54.840 0.265 0.000 0.752 219 L CB -0.460 41.663 42.059 0.106 0.000 0.899 219 L HN 0.132 nan 8.230 nan 0.000 0.433 220 D N -0.389 120.251 120.400 0.399 0.000 2.310 220 D HA -0.157 4.483 4.640 0.000 0.000 0.212 220 D C 2.074 178.579 176.300 0.341 0.000 0.965 220 D CA 0.914 55.142 54.000 0.379 0.000 0.879 220 D CB 0.056 40.974 40.800 0.198 0.000 0.921 220 D HN 0.477 nan 8.370 nan 0.000 0.510 221 Q N -0.311 119.670 119.800 0.301 0.000 2.424 221 Q HA 0.028 4.368 4.340 0.000 0.000 0.204 221 Q C 0.202 176.351 176.000 0.248 0.000 0.933 221 Q CA -0.302 55.653 55.803 0.253 0.000 0.929 221 Q CB 0.527 29.422 28.738 0.263 0.000 1.037 221 Q HN 0.114 nan 8.270 nan 0.000 0.511 222 L N 2.135 123.518 121.223 0.266 0.000 2.499 222 L HA -0.059 4.281 4.340 0.000 0.000 0.281 222 L C 0.248 177.219 176.870 0.168 0.000 1.234 222 L CA 0.881 55.810 54.840 0.149 0.000 0.839 222 L CB 0.284 42.370 42.059 0.045 0.000 1.104 222 L HN 0.181 nan 8.230 nan 0.000 0.500 223 E N 1.841 122.096 120.200 0.092 0.000 2.248 223 E HA 0.503 4.853 4.350 0.000 0.000 0.267 223 E C -1.415 175.214 176.600 0.048 0.000 0.877 223 E CA -0.911 55.558 56.400 0.114 0.000 0.759 223 E CB 1.088 30.845 29.700 0.095 0.000 1.182 223 E HN 0.150 nan 8.360 nan 0.000 0.418 224 L N 2.941 124.209 121.223 0.076 0.000 2.559 224 L HA 0.194 4.534 4.340 0.000 0.000 0.274 224 L C -1.927 174.959 176.870 0.028 0.000 1.205 224 L CA -1.514 53.349 54.840 0.039 0.000 0.907 224 L CB -1.023 41.082 42.059 0.077 0.000 1.153 224 L HN 0.562 nan 8.230 nan 0.000 0.490 225 P HA 0.023 nan 4.420 nan 0.000 0.260 225 P C -2.028 175.276 177.300 0.007 0.000 1.172 225 P CA -0.397 62.706 63.100 0.005 0.000 0.760 225 P CB -0.062 31.637 31.700 -0.002 0.000 0.773 226 P HA 0.228 nan 4.420 nan 0.000 0.276 226 P C -0.662 176.632 177.300 -0.010 0.000 1.261 226 P CA -0.419 62.682 63.100 0.002 0.000 0.800 226 P CB 0.880 32.580 31.700 0.001 0.000 1.066 227 K N 1.527 121.924 120.400 -0.006 0.000 2.326 227 K HA 0.196 4.516 4.320 0.000 0.000 0.275 227 K C -1.635 174.952 176.600 -0.022 0.000 1.018 227 K CA -1.422 54.858 56.287 -0.011 0.000 0.962 227 K CB -0.449 32.049 32.500 -0.004 0.000 0.953 227 K HN 0.357 nan 8.250 nan 0.000 0.475 228 P HA -0.054 nan 4.420 nan 0.000 0.249 228 P C 0.651 177.939 177.300 -0.020 0.000 1.686 228 P CA 0.078 63.153 63.100 -0.042 0.000 0.873 228 P CB -0.339 31.329 31.700 -0.053 0.000 1.828 229 V N -1.335 118.571 119.914 -0.014 0.000 2.626 229 V HA -0.207 3.913 4.120 0.000 0.000 0.252 229 V C 1.473 177.567 176.094 0.001 0.000 1.067 229 V CA 2.023 64.320 62.300 -0.004 0.000 1.081 229 V CB -1.608 30.213 31.823 -0.003 0.000 0.686 229 V HN 0.194 nan 8.190 nan 0.000 0.468 230 D N -0.584 119.811 120.400 -0.008 0.000 2.340 230 D HA 0.088 4.728 4.640 0.000 0.000 0.220 230 D C 0.836 177.132 176.300 -0.008 0.000 1.039 230 D CA 0.198 54.193 54.000 -0.008 0.000 0.866 230 D CB -0.135 40.655 40.800 -0.016 0.000 0.913 230 D HN 0.514 nan 8.370 nan 0.000 0.523 231 K N 0.392 120.787 120.400 -0.008 0.000 2.132 231 K HA 0.404 4.724 4.320 0.000 0.000 0.241 231 K C -2.543 174.111 176.600 0.090 0.000 1.000 231 K CA -2.258 54.028 56.287 -0.002 0.000 0.911 231 K CB 0.649 33.102 32.500 -0.078 0.000 1.093 231 K HN -0.117 nan 8.250 nan 0.000 0.460 232 P HA -0.046 nan 4.420 nan 0.000 0.269 232 P C -0.806 176.584 177.300 0.150 0.000 1.209 232 P CA -0.340 62.881 63.100 0.203 0.000 0.776 232 P CB 0.377 32.242 31.700 0.276 0.000 0.876 233 L N 4.234 125.456 121.223 -0.002 0.000 2.485 233 L HA 0.214 4.554 4.340 0.000 0.000 0.275 233 L C 0.004 176.717 176.870 -0.261 0.000 1.207 233 L CA 1.093 55.814 54.840 -0.198 0.000 0.855 233 L CB -0.238 41.468 42.059 -0.589 0.000 1.114 233 L HN 0.266 nan 8.230 nan 0.000 0.485 234 R N 6.561 126.912 120.500 -0.250 0.000 2.518 234 R HA 0.483 4.823 4.340 0.000 0.000 0.287 234 R C -1.515 174.633 176.300 -0.255 0.000 1.135 234 R CA -0.325 55.587 56.100 -0.314 0.000 0.967 234 R CB 1.166 31.255 30.300 -0.352 0.000 1.212 234 R HN 0.709 nan 8.270 nan 0.000 0.422 235 I N 4.315 124.722 120.570 -0.272 0.000 2.563 235 I HA 0.280 4.450 4.170 0.000 0.000 0.276 235 I C -2.367 173.662 176.117 -0.146 0.000 1.074 235 I CA -1.969 59.217 61.300 -0.190 0.000 1.124 235 I CB 2.421 40.300 38.000 -0.201 0.000 1.225 235 I HN 0.079 nan 8.210 nan 0.000 0.482 236 P HA 0.118 nan 4.420 nan 0.000 0.271 236 P C -0.450 176.869 177.300 0.031 0.000 1.220 236 P CA -0.124 62.917 63.100 -0.097 0.000 0.768 236 P CB 0.455 32.109 31.700 -0.077 0.000 0.848 237 I N 3.830 124.441 120.570 0.068 0.000 2.396 237 I HA 0.065 4.235 4.170 0.000 0.000 0.289 237 I C 1.424 177.575 176.117 0.058 0.000 1.056 237 I CA 0.328 61.681 61.300 0.089 0.000 1.365 237 I CB 0.922 38.993 38.000 0.119 0.000 1.407 237 I HN 0.447 nan 8.210 nan 0.000 0.509 238 Q N 4.421 124.247 119.800 0.043 0.000 2.226 238 Q HA 0.127 4.467 4.340 0.000 0.000 0.199 238 Q C -0.232 175.751 176.000 -0.029 0.000 0.945 238 Q CA 1.499 57.315 55.803 0.021 0.000 0.861 238 Q CB 0.612 29.372 28.738 0.038 0.000 0.953 238 Q HN 0.629 nan 8.270 nan 0.000 0.490 239 D N -1.447 118.913 120.400 -0.067 0.000 2.599 239 D HA 0.372 5.012 4.640 0.000 0.000 0.252 239 D C -1.736 174.382 176.300 -0.303 0.000 1.232 239 D CA -0.458 53.412 54.000 -0.216 0.000 0.819 239 D CB 2.209 42.847 40.800 -0.270 0.000 1.401 239 D HN -0.053 nan 8.370 nan 0.000 0.429 240 V N 1.631 121.242 119.914 -0.504 0.000 2.760 240 V HA 0.587 4.707 4.120 0.000 0.000 0.309 240 V C -1.762 173.974 176.094 -0.597 0.000 1.077 240 V CA -0.251 61.801 62.300 -0.413 0.000 0.910 240 V CB 1.426 33.105 31.823 -0.240 0.000 1.008 240 V HN 0.514 nan 8.190 nan 0.000 0.424 241 Y N 2.578 122.819 120.300 -0.099 0.000 2.662 241 Y HA 0.759 5.309 4.550 0.000 0.000 0.335 241 Y C 0.360 176.212 175.900 -0.080 0.000 1.066 241 Y CA -0.962 57.092 58.100 -0.077 0.000 1.116 241 Y CB 2.598 41.018 38.460 -0.066 0.000 1.308 241 Y HN 0.477 nan 8.280 nan 0.000 0.502 242 S N 2.012 117.791 115.700 0.132 0.000 2.620 242 S HA 0.437 4.907 4.470 0.000 0.000 0.244 242 S C -1.286 173.340 174.600 0.043 0.000 1.192 242 S CA -0.534 57.694 58.200 0.046 0.000 1.148 242 S CB 0.069 63.275 63.200 0.009 0.000 1.106 242 S HN 0.299 nan 8.310 nan 0.000 0.474 243 I N 1.947 122.533 120.570 0.027 0.000 2.474 243 I HA 0.307 4.477 4.170 0.000 0.000 0.287 243 I C 1.160 177.280 176.117 0.005 0.000 1.048 243 I CA -0.377 60.928 61.300 0.008 0.000 1.383 243 I CB 0.950 38.945 38.000 -0.007 0.000 1.412 243 I HN 0.402 nan 8.210 nan 0.000 0.531 244 S N 3.781 119.482 115.700 0.003 0.000 2.537 244 S HA 0.321 4.791 4.470 0.000 0.000 0.286 244 S C 1.261 175.862 174.600 0.001 0.000 1.299 244 S CA 0.807 59.008 58.200 0.002 0.000 1.067 244 S CB 0.132 63.332 63.200 0.001 0.000 0.864 244 S HN 1.088 nan 8.310 nan 0.000 0.494 245 G N 2.666 111.468 108.800 0.002 0.000 2.220 245 G HA2 -0.265 3.695 3.960 0.000 0.000 0.269 245 G HA3 -0.265 3.695 3.960 0.000 0.000 0.269 245 G C 0.662 175.566 174.900 0.005 0.000 0.977 245 G CA 0.629 45.731 45.100 0.003 0.000 0.634 245 G HN 0.692 nan 8.290 nan 0.000 0.539 246 V N -0.620 119.297 119.914 0.005 0.000 2.854 246 V HA 0.669 4.789 4.120 0.000 0.000 0.236 246 V C 1.793 177.892 176.094 0.008 0.000 1.157 246 V CA 1.904 64.209 62.300 0.008 0.000 1.187 246 V CB 0.035 31.861 31.823 0.005 0.000 0.949 246 V HN 2.077 nan 8.190 nan 0.000 0.488 247 G N 0.706 109.508 108.800 0.003 0.000 2.306 247 G HA2 -0.029 3.931 3.960 0.000 0.000 0.262 247 G HA3 -0.029 3.931 3.960 0.000 0.000 0.262 247 G C -0.069 174.826 174.900 -0.009 0.000 1.263 247 G CA -0.226 44.873 45.100 -0.002 0.000 1.088 247 G HN 0.680 nan 8.290 nan 0.000 0.489 248 T N -1.730 112.809 114.554 -0.025 0.000 2.779 248 T HA 0.529 4.879 4.350 0.000 0.000 0.296 248 T C 0.025 174.682 174.700 -0.073 0.000 0.938 248 T CA 0.204 62.272 62.100 -0.053 0.000 1.119 248 T CB 1.512 70.324 68.868 -0.094 0.000 0.891 248 T HN 2.049 nan 8.240 nan 0.000 0.526 249 V N 5.962 125.836 119.914 -0.067 0.000 2.340 249 V HA 0.488 4.608 4.120 0.000 0.000 0.277 249 V C -2.843 173.137 176.094 -0.189 0.000 1.017 249 V CA -2.445 59.773 62.300 -0.137 0.000 0.820 249 V CB 1.256 33.050 31.823 -0.048 0.000 1.028 249 V HN 0.738 nan 8.190 nan 0.000 0.436 250 P HA 0.397 nan 4.420 nan 0.000 0.274 250 P C -1.127 175.948 177.300 -0.375 0.000 1.237 250 P CA -0.121 62.735 63.100 -0.408 0.000 0.793 250 P CB 1.292 32.738 31.700 -0.422 0.000 0.977 251 V N 1.253 121.115 119.914 -0.086 0.000 2.638 251 V HA 0.890 5.010 4.120 0.000 0.000 0.306 251 V C 0.398 176.549 176.094 0.096 0.000 1.052 251 V CA -0.132 62.197 62.300 0.048 0.000 0.885 251 V CB 1.647 33.546 31.823 0.128 0.000 0.999 251 V HN 0.886 nan 8.190 nan 0.000 0.424 252 G N 3.346 112.228 108.800 0.136 0.000 2.441 252 G HA2 0.546 4.506 3.960 0.000 0.000 0.294 252 G HA3 0.546 4.506 3.960 0.000 0.000 0.294 252 G C -1.865 173.076 174.900 0.068 0.000 1.393 252 G CA -0.921 44.241 45.100 0.102 0.000 0.796 252 G HN 0.649 nan 8.290 nan 0.000 0.494 253 R N 0.011 120.529 120.500 0.031 0.000 2.393 253 R HA 0.589 4.929 4.340 0.000 0.000 0.310 253 R C -0.545 175.737 176.300 -0.030 0.000 0.968 253 R CA -0.531 55.569 56.100 0.000 0.000 0.867 253 R CB 1.615 31.919 30.300 0.005 0.000 1.124 253 R HN 0.303 nan 8.270 nan 0.000 0.450 254 V N 5.401 125.285 119.914 -0.050 0.000 2.446 254 V HA 0.018 4.139 4.120 0.000 0.000 0.276 254 V C 0.773 176.836 176.094 -0.053 0.000 1.030 254 V CA 0.358 62.609 62.300 -0.080 0.000 1.033 254 V CB 1.162 32.931 31.823 -0.090 0.000 0.993 254 V HN 0.865 nan 8.190 nan 0.000 0.477 255 E N 2.286 122.451 120.200 -0.058 0.000 2.452 255 E HA 0.170 4.520 4.350 0.000 0.000 0.197 255 E C 0.624 177.228 176.600 0.007 0.000 1.022 255 E CA 0.256 56.642 56.400 -0.023 0.000 0.890 255 E CB 1.109 30.792 29.700 -0.028 0.000 0.918 255 E HN 0.601 nan 8.360 nan 0.000 0.496 256 S N -1.322 114.379 115.700 0.002 0.000 2.552 256 S HA 0.523 4.994 4.470 0.000 0.000 0.272 256 S C -0.226 174.381 174.600 0.012 0.000 1.150 256 S CA 0.115 58.347 58.200 0.053 0.000 0.849 256 S CB 1.217 64.559 63.200 0.236 0.000 1.113 256 S HN 0.353 nan 8.310 nan 0.000 0.458 257 G N 1.034 109.849 108.800 0.025 0.000 2.697 257 G HA2 -0.061 3.899 3.960 0.000 0.000 0.240 257 G HA3 -0.061 3.899 3.960 0.000 0.000 0.240 257 G C -1.043 173.851 174.900 -0.010 0.000 1.346 257 G CA -0.211 44.899 45.100 0.018 0.000 0.887 257 G HN 1.604 nan 8.290 nan 0.000 0.569 258 V N -0.075 119.848 119.914 0.015 0.000 2.709 258 V HA 0.684 4.804 4.120 0.000 0.000 0.308 258 V C -0.217 175.885 176.094 0.013 0.000 1.062 258 V CA -0.549 61.752 62.300 0.002 0.000 0.901 258 V CB 1.690 33.523 31.823 0.016 0.000 1.003 258 V HN 1.132 nan 8.190 nan 0.000 0.425 259 L N 4.809 125.994 121.223 -0.063 0.000 2.313 259 L HA 0.667 5.007 4.340 0.000 0.000 0.283 259 L C -0.396 176.443 176.870 -0.052 0.000 1.013 259 L CA 0.138 54.920 54.840 -0.097 0.000 0.816 259 L CB 1.209 43.111 42.059 -0.262 0.000 1.236 259 L HN 0.629 nan 8.230 nan 0.000 0.419 260 K N 3.881 124.274 120.400 -0.013 0.000 2.316 260 K HA 0.543 4.863 4.320 0.000 0.000 0.251 260 K C -1.085 175.511 176.600 -0.008 0.000 0.934 260 K CA -1.092 55.188 56.287 -0.011 0.000 0.802 260 K CB 2.370 34.867 32.500 -0.005 0.000 1.171 260 K HN 0.346 nan 8.250 nan 0.000 0.426 261 V N 1.866 121.780 119.914 -0.000 0.000 2.694 261 V HA 0.057 4.177 4.120 0.000 0.000 0.306 261 V C 1.383 177.485 176.094 0.014 0.000 1.054 261 V CA 1.903 64.212 62.300 0.015 0.000 1.161 261 V CB 0.419 32.255 31.823 0.022 0.000 0.916 261 V HN 1.172 nan 8.190 nan 0.000 0.490 262 G N 3.579 112.394 108.800 0.024 0.000 2.194 262 G HA2 -0.182 3.778 3.960 0.000 0.000 0.236 262 G HA3 -0.182 3.778 3.960 0.000 0.000 0.236 262 G C -0.048 174.863 174.900 0.017 0.000 0.987 262 G CA 0.018 45.130 45.100 0.020 0.000 0.635 262 G HN 0.675 nan 8.290 nan 0.000 0.520 263 D N 1.041 121.453 120.400 0.020 0.000 2.414 263 D HA 0.505 5.145 4.640 0.000 0.000 0.242 263 D C 0.681 177.010 176.300 0.048 0.000 1.129 263 D CA 0.281 54.300 54.000 0.031 0.000 0.885 263 D CB 0.842 41.693 40.800 0.085 0.000 1.198 263 D HN 0.079 nan 8.370 nan 0.000 0.437 264 K N 1.326 121.756 120.400 0.050 0.000 2.205 264 K HA 0.499 4.819 4.320 0.000 0.000 0.279 264 K C -0.575 176.076 176.600 0.085 0.000 1.027 264 K CA -0.476 55.847 56.287 0.059 0.000 0.932 264 K CB 0.760 33.284 32.500 0.039 0.000 1.032 264 K HN 0.259 nan 8.250 nan 0.000 0.466 265 I N 2.027 122.629 120.570 0.053 0.000 2.730 265 I HA 0.381 4.551 4.170 0.000 0.000 0.298 265 I C -1.423 174.676 176.117 -0.031 0.000 1.089 265 I CA -0.900 60.375 61.300 -0.042 0.000 1.041 265 I CB 2.244 40.147 38.000 -0.161 0.000 1.235 265 I HN 0.268 nan 8.210 nan 0.000 0.423 266 V N 6.658 126.501 119.914 -0.119 0.000 2.495 266 V HA 0.546 4.666 4.120 0.000 0.000 0.298 266 V C -1.252 174.761 176.094 -0.135 0.000 1.031 266 V CA -0.407 61.874 62.300 -0.031 0.000 0.871 266 V CB 1.472 33.291 31.823 -0.006 0.000 0.988 266 V HN 0.467 nan 8.190 nan 0.000 0.432 267 F N 7.289 127.234 119.950 -0.009 0.000 2.385 267 F HA 0.612 5.139 4.527 0.001 0.000 0.360 267 F C 0.378 176.164 175.800 -0.024 0.000 1.122 267 F CA -0.524 57.468 58.000 -0.012 0.000 1.090 267 F CB 1.530 40.533 39.000 0.005 0.000 1.150 267 F HN 0.234 nan 8.300 nan 0.000 0.472 268 M N 4.999 124.658 119.600 0.099 0.000 2.478 268 M HA 0.344 4.824 4.480 0.000 0.000 0.327 268 M C -1.834 174.504 176.300 0.063 0.000 1.187 268 M CA -2.809 52.521 55.300 0.050 0.000 1.022 268 M CB 1.373 33.962 32.600 -0.017 0.000 1.629 268 M HN 0.170 nan 8.290 nan 0.000 0.461 269 P HA 0.153 nan 4.420 nan 0.000 0.249 269 P C 0.882 178.202 177.300 0.034 0.000 1.229 269 P CA 0.457 63.575 63.100 0.029 0.000 0.788 269 P CB 0.077 31.788 31.700 0.019 0.000 1.072 270 A N 0.679 123.528 122.820 0.048 0.000 1.986 270 A HA 0.051 4.371 4.320 0.000 0.000 0.220 270 A C 1.991 179.601 177.584 0.043 0.000 1.171 270 A CA 1.777 53.836 52.037 0.035 0.000 0.640 270 A CB -1.809 17.205 19.000 0.022 0.000 0.811 270 A HN 0.290 nan 8.150 nan 0.000 0.451 271 G N -1.862 106.978 108.800 0.066 0.000 2.148 271 G HA2 -0.257 3.703 3.960 0.000 0.000 0.254 271 G HA3 -0.257 3.703 3.960 0.000 0.000 0.254 271 G C 0.088 175.032 174.900 0.073 0.000 0.981 271 G CA 0.562 45.697 45.100 0.057 0.000 0.670 271 G HN 0.488 nan 8.290 nan 0.000 0.528 272 K N 0.276 120.739 120.400 0.105 0.000 2.249 272 K HA 0.613 4.933 4.320 0.000 0.000 0.280 272 K C 0.475 177.190 176.600 0.191 0.000 1.033 272 K CA -0.422 55.928 56.287 0.105 0.000 0.946 272 K CB 2.047 34.575 32.500 0.045 0.000 1.005 272 K HN 0.141 nan 8.250 nan 0.000 0.469 273 V N 0.753 120.752 119.914 0.142 0.000 2.881 273 V HA 0.808 4.928 4.120 0.000 0.000 0.316 273 V C 0.682 176.876 176.094 0.167 0.000 1.070 273 V CA -0.620 61.772 62.300 0.154 0.000 0.976 273 V CB 1.932 33.808 31.823 0.088 0.000 1.038 273 V HN 0.966 nan 8.190 nan 0.000 0.446 274 G N 1.447 110.360 108.800 0.187 0.000 2.682 274 G HA2 0.625 4.586 3.960 0.000 0.000 0.303 274 G HA3 0.625 4.586 3.960 0.000 0.000 0.303 274 G C -1.810 173.177 174.900 0.144 0.000 1.341 274 G CA -0.416 44.789 45.100 0.175 0.000 0.784 274 G HN 0.659 nan 8.290 nan 0.000 0.497 275 E N -0.549 119.731 120.200 0.133 0.000 2.248 275 E HA 0.536 4.886 4.350 0.000 0.000 0.267 275 E C -0.969 175.708 176.600 0.129 0.000 0.877 275 E CA -0.674 55.789 56.400 0.105 0.000 0.759 275 E CB 2.424 32.167 29.700 0.072 0.000 1.182 275 E HN 0.242 nan 8.360 nan 0.000 0.418 276 V N 5.975 125.954 119.914 0.109 0.000 2.439 276 V HA 0.112 4.232 4.120 0.000 0.000 0.271 276 V C 1.381 177.536 176.094 0.101 0.000 1.040 276 V CA -0.144 62.235 62.300 0.130 0.000 1.002 276 V CB 0.830 32.685 31.823 0.054 0.000 1.000 276 V HN 0.719 nan 8.190 nan 0.000 0.477 277 R N 2.572 123.143 120.500 0.118 0.000 2.090 277 R HA 0.123 4.464 4.340 0.000 0.000 0.219 277 R C 0.797 177.143 176.300 0.076 0.000 1.100 277 R CA 1.001 57.151 56.100 0.082 0.000 0.991 277 R CB 0.366 30.711 30.300 0.075 0.000 0.893 277 R HN 0.830 nan 8.270 nan 0.000 0.443 278 S N -1.084 114.676 115.700 0.101 0.000 2.625 278 S HA 0.637 5.107 4.470 0.000 0.000 0.271 278 S C -0.566 174.109 174.600 0.125 0.000 1.161 278 S CA -0.929 57.323 58.200 0.087 0.000 0.820 278 S CB 2.105 65.345 63.200 0.067 0.000 1.137 278 S HN 0.016 nan 8.310 nan 0.000 0.470 279 I N 0.512 121.138 120.570 0.093 0.000 2.802 279 I HA 0.591 4.761 4.170 0.000 0.000 0.298 279 I C -0.977 175.177 176.117 0.062 0.000 1.176 279 I CA -0.373 60.989 61.300 0.104 0.000 1.025 279 I CB 2.411 40.442 38.000 0.051 0.000 1.243 279 I HN 0.892 nan 8.210 nan 0.000 0.424 280 E N 3.342 123.573 120.200 0.052 0.000 2.290 280 E HA 0.549 4.899 4.350 0.000 0.000 0.274 280 E C -1.750 174.833 176.600 -0.029 0.000 0.889 280 E CA -0.433 55.972 56.400 0.008 0.000 0.760 280 E CB 2.167 31.858 29.700 -0.016 0.000 1.206 280 E HN 0.570 nan 8.360 nan 0.000 0.419 281 T N 3.750 118.284 114.554 -0.033 0.000 2.840 281 T HA 0.263 4.613 4.350 0.000 0.000 0.287 281 T C -0.646 174.040 174.700 -0.024 0.000 0.991 281 T CA -0.561 61.484 62.100 -0.092 0.000 0.964 281 T CB 0.741 69.569 68.868 -0.067 0.000 0.954 281 T HN 0.604 nan 8.240 nan 0.000 0.438 282 H N 2.469 121.515 119.070 -0.040 0.000 2.770 282 H HA -0.167 4.389 4.556 0.000 0.000 0.309 282 H C 0.378 175.773 175.328 0.112 0.000 1.206 282 H CA 1.144 57.212 56.048 0.033 0.000 1.147 282 H CB -1.960 27.840 29.762 0.062 0.000 1.422 282 H HN 1.092 nan 8.280 nan 0.000 0.420 283 H N -2.332 116.796 119.070 0.097 0.000 2.791 283 H HA -0.142 4.414 4.556 -0.000 0.000 0.302 283 H C -0.069 175.291 175.328 0.053 0.000 1.198 283 H CA 1.345 57.426 56.048 0.055 0.000 1.145 283 H CB -1.287 28.501 29.762 0.043 0.000 1.385 283 H HN 0.401 nan 8.280 nan 0.000 0.409 284 T N 0.180 114.800 114.554 0.110 0.000 2.879 284 T HA 0.249 4.599 4.350 0.000 0.000 0.290 284 T C 0.124 174.856 174.700 0.053 0.000 0.993 284 T CA -1.060 61.092 62.100 0.087 0.000 0.975 284 T CB 2.215 71.139 68.868 0.094 0.000 0.981 284 T HN 0.254 nan 8.240 nan 0.000 0.439 285 K N 3.247 123.675 120.400 0.047 0.000 2.412 285 K HA 0.342 4.662 4.320 0.000 0.000 0.284 285 K C -0.602 176.018 176.600 0.033 0.000 1.046 285 K CA -0.043 56.267 56.287 0.037 0.000 0.999 285 K CB 0.306 32.826 32.500 0.034 0.000 0.941 285 K HN 0.385 nan 8.250 nan 0.000 0.474 286 M N 2.701 122.319 119.600 0.030 0.000 2.662 286 M HA 0.192 4.672 4.480 0.000 0.000 0.310 286 M C 0.161 176.473 176.300 0.020 0.000 1.204 286 M CA -0.361 54.953 55.300 0.024 0.000 0.891 286 M CB 1.909 34.521 32.600 0.019 0.000 1.732 286 M HN 0.542 nan 8.290 nan 0.000 0.467 287 D N 0.611 121.020 120.400 0.015 0.000 2.277 287 D HA 0.093 4.733 4.640 0.000 0.000 0.209 287 D C -0.256 176.045 176.300 0.003 0.000 0.970 287 D CA 0.882 54.889 54.000 0.011 0.000 0.874 287 D CB 0.521 41.327 40.800 0.009 0.000 0.982 287 D HN 0.577 nan 8.370 nan 0.000 0.504 288 K N -0.851 119.548 120.400 -0.002 0.000 2.495 288 K HA 0.760 5.080 4.320 0.000 0.000 0.268 288 K C -1.530 175.057 176.600 -0.020 0.000 1.008 288 K CA -1.114 55.164 56.287 -0.014 0.000 0.882 288 K CB 2.525 35.019 32.500 -0.010 0.000 1.443 288 K HN -0.157 nan 8.250 nan 0.000 0.447 289 A N 1.110 123.907 122.820 -0.039 0.000 2.422 289 A HA 0.548 4.868 4.320 0.000 0.000 0.302 289 A C -1.314 176.243 177.584 -0.046 0.000 1.041 289 A CA -0.727 51.282 52.037 -0.046 0.000 0.708 289 A CB 1.346 20.303 19.000 -0.071 0.000 1.257 289 A HN 0.760 nan 8.150 nan 0.000 0.414 290 E N 1.378 121.558 120.200 -0.033 0.000 2.299 290 E HA 0.459 4.809 4.350 0.000 0.000 0.260 290 E C -2.673 173.910 176.600 -0.028 0.000 0.944 290 E CA -2.308 54.076 56.400 -0.026 0.000 0.815 290 E CB 1.339 31.032 29.700 -0.011 0.000 1.252 290 E HN 0.351 nan 8.360 nan 0.000 0.418 291 P HA -0.074 nan 4.420 nan 0.000 0.261 291 P C 0.445 177.737 177.300 -0.012 0.000 1.173 291 P CA 1.398 64.486 63.100 -0.019 0.000 0.760 291 P CB 0.258 31.950 31.700 -0.013 0.000 0.783 292 G N 2.397 111.189 108.800 -0.013 0.000 2.254 292 G HA2 -0.184 3.776 3.960 0.000 0.000 0.225 292 G HA3 -0.184 3.776 3.960 0.000 0.000 0.225 292 G C -0.130 174.761 174.900 -0.015 0.000 1.003 292 G CA -0.404 44.694 45.100 -0.004 0.000 0.622 292 G HN 0.499 nan 8.290 nan 0.000 0.507 293 D N 1.410 121.792 120.400 -0.030 0.000 2.401 293 D HA 0.326 4.966 4.640 0.000 0.000 0.254 293 D C 0.181 176.440 176.300 -0.068 0.000 1.192 293 D CA 0.010 53.976 54.000 -0.057 0.000 0.885 293 D CB 0.699 41.467 40.800 -0.053 0.000 1.147 293 D HN 0.217 nan 8.370 nan 0.000 0.478 294 N N 2.983 121.617 118.700 -0.111 0.000 2.406 294 N HA 0.226 4.966 4.740 0.000 0.000 0.251 294 N C -0.546 174.902 175.510 -0.103 0.000 1.069 294 N CA -0.371 52.627 53.050 -0.086 0.000 0.947 294 N CB 0.177 38.609 38.487 -0.091 0.000 1.111 294 N HN 0.434 nan 8.380 nan 0.000 0.497 295 I N -0.526 120.034 120.570 -0.017 0.000 3.067 295 I HA 0.876 5.046 4.170 0.000 0.000 0.312 295 I C 0.260 176.444 176.117 0.112 0.000 1.073 295 I CA -1.226 60.092 61.300 0.029 0.000 1.016 295 I CB 2.218 40.261 38.000 0.071 0.000 1.227 295 I HN 0.333 nan 8.210 nan 0.000 0.456 296 G N 2.600 111.463 108.800 0.104 0.000 2.542 296 G HA2 0.742 4.702 3.960 0.000 0.000 0.311 296 G HA3 0.742 4.702 3.960 0.000 0.000 0.311 296 G C -1.436 173.574 174.900 0.184 0.000 1.298 296 G CA -0.612 44.530 45.100 0.071 0.000 0.973 296 G HN 0.781 nan 8.290 nan 0.000 0.487 297 F N -0.121 119.846 119.950 0.029 0.000 2.608 297 F HA 0.634 5.162 4.527 0.001 0.000 0.309 297 F C -1.058 174.777 175.800 0.058 0.000 1.103 297 F CA -1.877 56.140 58.000 0.030 0.000 0.954 297 F CB 1.787 40.797 39.000 0.018 0.000 1.267 297 F HN 0.373 nan 8.300 nan 0.000 0.444 298 N N 2.006 120.797 118.700 0.152 0.000 2.414 298 N HA 0.429 5.169 4.740 0.000 0.000 0.256 298 N C -1.647 173.971 175.510 0.180 0.000 1.029 298 N CA -0.376 52.724 53.050 0.083 0.000 0.948 298 N CB 1.578 40.105 38.487 0.067 0.000 1.102 298 N HN 0.790 nan 8.380 nan 0.000 0.496 299 V N 4.983 124.990 119.914 0.156 0.000 2.459 299 V HA 0.582 4.702 4.120 0.000 0.000 0.295 299 V C -0.783 175.387 176.094 0.125 0.000 1.029 299 V CA -0.762 61.678 62.300 0.233 0.000 0.874 299 V CB 0.914 32.986 31.823 0.415 0.000 0.985 299 V HN 0.604 nan 8.190 nan 0.000 0.438 300 R N 4.484 125.053 120.500 0.115 0.000 2.460 300 R HA 0.624 4.964 4.340 0.000 0.000 0.303 300 R C 0.792 177.133 176.300 0.068 0.000 0.968 300 R CA 0.135 56.276 56.100 0.069 0.000 0.889 300 R CB 1.405 31.740 30.300 0.058 0.000 1.123 300 R HN 1.274 nan 8.270 nan 0.000 0.455 301 G N 0.392 109.215 108.800 0.039 0.000 2.163 301 G HA2 -0.233 3.727 3.960 0.000 0.000 0.213 301 G HA3 -0.233 3.727 3.960 0.000 0.000 0.213 301 G C -0.575 174.336 174.900 0.018 0.000 0.991 301 G CA -0.017 45.103 45.100 0.034 0.000 0.653 301 G HN 0.504 nan 8.290 nan 0.000 0.518 302 V N 0.956 120.863 119.914 -0.011 0.000 2.623 302 V HA 0.573 4.694 4.120 0.000 0.000 0.304 302 V C -0.274 175.745 176.094 -0.125 0.000 1.054 302 V CA -0.850 61.402 62.300 -0.081 0.000 0.882 302 V CB 1.682 33.420 31.823 -0.141 0.000 1.002 302 V HN 0.354 nan 8.190 nan 0.000 0.424 303 E N 4.985 125.112 120.200 -0.122 0.000 2.360 303 E HA 0.147 4.497 4.350 0.000 0.000 0.269 303 E C 0.628 177.130 176.600 -0.164 0.000 1.022 303 E CA -0.280 56.052 56.400 -0.114 0.000 0.887 303 E CB 1.030 30.679 29.700 -0.084 0.000 0.990 303 E HN 0.587 nan 8.360 nan 0.000 0.426 304 K N 3.233 123.549 120.400 -0.141 0.000 2.228 304 K HA -0.248 4.072 4.320 0.000 0.000 0.205 304 K C 1.096 177.603 176.600 -0.156 0.000 1.045 304 K CA 1.318 57.511 56.287 -0.158 0.000 0.931 304 K CB 0.160 32.593 32.500 -0.111 0.000 0.727 304 K HN 0.287 nan 8.250 nan 0.000 0.458 305 K N 0.882 121.208 120.400 -0.124 0.000 2.152 305 K HA -0.133 4.188 4.320 0.000 0.000 0.206 305 K C 1.290 177.820 176.600 -0.117 0.000 1.048 305 K CA 1.210 57.436 56.287 -0.103 0.000 0.933 305 K CB -0.305 32.149 32.500 -0.077 0.000 0.721 305 K HN 0.316 nan 8.250 nan 0.000 0.447 306 D N 0.481 120.787 120.400 -0.155 0.000 2.349 306 D HA 0.046 4.687 4.640 0.000 0.000 0.224 306 D C -0.133 176.038 176.300 -0.215 0.000 1.029 306 D CA 0.337 54.239 54.000 -0.164 0.000 0.879 306 D CB 0.094 40.790 40.800 -0.173 0.000 0.906 306 D HN 0.131 nan 8.370 nan 0.000 0.528 307 I N 0.824 121.252 120.570 -0.236 0.000 2.466 307 I HA 0.216 4.386 4.170 0.000 0.000 0.289 307 I C 0.047 176.094 176.117 -0.118 0.000 1.026 307 I CA -0.520 60.654 61.300 -0.210 0.000 1.078 307 I CB 2.004 39.793 38.000 -0.353 0.000 1.249 307 I HN -0.434 nan 8.210 nan 0.000 0.429 308 K N 3.977 124.343 120.400 -0.055 0.000 2.480 308 K HA 0.495 4.815 4.320 0.000 0.000 0.258 308 K C -0.654 175.932 176.600 -0.023 0.000 0.990 308 K CA -1.080 55.175 56.287 -0.054 0.000 0.857 308 K CB 2.477 34.950 32.500 -0.046 0.000 1.384 308 K HN 0.523 nan 8.250 nan 0.000 0.446 309 R N -0.087 120.389 120.500 -0.041 0.000 2.570 309 R HA 0.165 4.505 4.340 0.000 0.000 0.277 309 R C 0.698 176.997 176.300 -0.003 0.000 1.039 309 R CA 1.942 58.029 56.100 -0.022 0.000 1.065 309 R CB -0.119 30.155 30.300 -0.044 0.000 0.964 309 R HN 0.868 nan 8.270 nan 0.000 0.428 310 G N 2.840 111.664 108.800 0.040 0.000 2.254 310 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 310 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 310 G C -0.301 174.679 174.900 0.133 0.000 1.003 310 G CA 0.116 45.255 45.100 0.065 0.000 0.622 310 G HN 0.660 nan 8.290 nan 0.000 0.507 311 D N 0.226 120.680 120.400 0.090 0.000 2.361 311 D HA 0.524 5.164 4.640 0.000 0.000 0.239 311 D C 0.449 176.784 176.300 0.058 0.000 1.200 311 D CA 0.310 54.365 54.000 0.092 0.000 0.915 311 D CB 1.685 42.563 40.800 0.130 0.000 1.170 311 D HN 0.336 nan 8.370 nan 0.000 0.444 312 V N 1.065 120.973 119.914 -0.009 0.000 2.709 312 V HA 0.314 4.434 4.120 0.000 0.000 0.308 312 V C 0.016 175.999 176.094 -0.185 0.000 1.062 312 V CA -0.909 61.307 62.300 -0.140 0.000 0.901 312 V CB 2.139 33.800 31.823 -0.271 0.000 1.003 312 V HN 0.218 nan 8.190 nan 0.000 0.425 313 V N 3.221 122.965 119.914 -0.284 0.000 2.539 313 V HA 0.938 5.058 4.120 0.000 0.000 0.292 313 V C 0.699 176.542 176.094 -0.418 0.000 1.045 313 V CA 0.406 62.427 62.300 -0.466 0.000 0.945 313 V CB 1.513 32.985 31.823 -0.585 0.000 0.993 313 V HN 1.097 nan 8.190 nan 0.000 0.464 314 G N 2.192 110.748 108.800 -0.406 0.000 2.687 314 G HA2 0.501 4.461 3.960 0.000 0.000 0.291 314 G HA3 0.501 4.461 3.960 0.000 0.000 0.291 314 G C -1.442 173.255 174.900 -0.338 0.000 1.420 314 G CA -0.673 44.199 45.100 -0.380 0.000 0.796 314 G HN 0.567 nan 8.290 nan 0.000 0.485 315 H N 0.120 119.103 119.070 -0.144 0.000 2.511 315 H HA 0.267 4.823 4.556 0.000 0.000 0.346 315 H C -1.462 173.819 175.328 -0.079 0.000 1.128 315 H CA -1.732 54.253 56.048 -0.106 0.000 1.342 315 H CB 1.920 31.634 29.762 -0.080 0.000 1.470 315 H HN 0.085 nan 8.280 nan 0.000 0.546 316 P HA -0.186 nan 4.420 nan 0.000 0.217 316 P C 1.080 178.397 177.300 0.028 0.000 1.148 316 P CA 1.324 64.444 63.100 0.035 0.000 0.828 316 P CB 0.359 32.078 31.700 0.032 0.000 0.783 317 N N -1.724 116.999 118.700 0.038 0.000 2.381 317 N HA -0.103 4.638 4.740 0.000 0.000 0.182 317 N C 0.497 176.024 175.510 0.027 0.000 1.025 317 N CA 1.015 54.079 53.050 0.023 0.000 0.888 317 N CB -0.735 37.755 38.487 0.006 0.000 0.965 317 N HN 0.160 nan 8.380 nan 0.000 0.438 318 N N 0.726 119.447 118.700 0.035 0.000 2.722 318 N HA 0.216 4.956 4.740 0.000 0.000 0.242 318 N C -3.020 172.472 175.510 -0.030 0.000 1.398 318 N CA -0.904 52.158 53.050 0.020 0.000 0.755 318 N CB 1.710 40.229 38.487 0.054 0.000 1.268 318 N HN 0.017 nan 8.380 nan 0.000 0.522 319 P HA 0.283 nan 4.420 nan 0.000 0.272 319 P C -2.749 174.475 177.300 -0.127 0.000 1.223 319 P CA -0.920 62.133 63.100 -0.079 0.000 0.784 319 P CB 0.083 31.758 31.700 -0.043 0.000 0.923 320 P HA 0.052 nan 4.420 nan 0.000 0.265 320 P C -0.086 177.124 177.300 -0.150 0.000 1.193 320 P CA 0.655 63.613 63.100 -0.237 0.000 0.765 320 P CB -0.076 31.479 31.700 -0.242 0.000 0.823 321 T N 2.541 117.005 114.554 -0.151 0.000 2.901 321 T HA 0.212 4.562 4.350 0.000 0.000 0.301 321 T C 0.155 174.826 174.700 -0.048 0.000 1.012 321 T CA -0.072 61.986 62.100 -0.071 0.000 1.135 321 T CB 0.165 69.007 68.868 -0.043 0.000 0.936 321 T HN 0.028 nan 8.240 nan 0.000 0.539 322 V N 2.595 122.501 119.914 -0.013 0.000 2.409 322 V HA 0.646 4.766 4.120 0.000 0.000 0.291 322 V C 0.280 176.395 176.094 0.036 0.000 1.020 322 V CA -1.153 61.151 62.300 0.007 0.000 0.848 322 V CB 1.352 33.181 31.823 0.009 0.000 0.990 322 V HN 1.074 nan 8.190 nan 0.000 0.430 323 A N 2.560 125.418 122.820 0.064 0.000 2.301 323 A HA 0.509 4.830 4.320 0.000 0.000 0.298 323 A C 0.660 178.313 177.584 0.115 0.000 1.185 323 A CA -0.337 51.772 52.037 0.121 0.000 0.830 323 A CB 0.508 19.647 19.000 0.232 0.000 1.112 323 A HN 0.816 nan 8.150 nan 0.000 0.508 324 D N 0.424 120.879 120.400 0.092 0.000 2.240 324 D HA 0.076 4.717 4.640 0.000 0.000 0.206 324 D C 0.428 176.764 176.300 0.059 0.000 0.963 324 D CA 1.198 55.235 54.000 0.061 0.000 0.863 324 D CB 0.499 41.325 40.800 0.043 0.000 0.973 324 D HN 0.798 nan 8.370 nan 0.000 0.501 325 E N -1.046 119.209 120.200 0.091 0.000 2.388 325 E HA 0.339 4.689 4.350 0.000 0.000 0.280 325 E C -1.624 175.072 176.600 0.160 0.000 1.019 325 E CA -0.737 55.690 56.400 0.044 0.000 0.806 325 E CB 1.246 30.948 29.700 0.004 0.000 1.246 325 E HN -0.103 nan 8.360 nan 0.000 0.443 326 F N -0.665 119.335 119.950 0.082 0.000 2.613 326 F HA 0.685 5.212 4.527 -0.000 0.000 0.310 326 F C -1.112 174.779 175.800 0.152 0.000 1.085 326 F CA -0.774 57.285 58.000 0.097 0.000 0.945 326 F CB 1.744 40.784 39.000 0.067 0.000 1.298 326 F HN 0.144 nan 8.300 nan 0.000 0.455 327 T N 2.125 116.907 114.554 0.379 0.000 2.824 327 T HA 0.828 5.178 4.350 0.000 0.000 0.280 327 T C -0.515 174.455 174.700 0.450 0.000 0.995 327 T CA -0.335 61.941 62.100 0.294 0.000 1.009 327 T CB 1.336 70.317 68.868 0.189 0.000 0.955 327 T HN 1.003 nan 8.240 nan 0.000 0.452 328 A N 2.862 125.957 122.820 0.459 0.000 2.498 328 A HA 0.798 5.118 4.320 0.000 0.000 0.298 328 A C -0.637 177.145 177.584 0.330 0.000 1.075 328 A CA -0.933 51.417 52.037 0.522 0.000 0.714 328 A CB 1.460 21.030 19.000 0.950 0.000 1.299 328 A HN 0.736 nan 8.150 nan 0.000 0.407 329 R N 1.251 121.882 120.500 0.220 0.000 2.215 329 R HA 0.578 4.919 4.340 0.000 0.000 0.336 329 R C -0.628 175.711 176.300 0.065 0.000 0.996 329 R CA -0.213 55.953 56.100 0.110 0.000 0.847 329 R CB 0.395 30.722 30.300 0.045 0.000 1.127 329 R HN 0.766 nan 8.270 nan 0.000 0.465 330 I N 0.871 121.495 120.570 0.091 0.000 2.957 330 I HA 0.629 4.799 4.170 0.000 0.000 0.310 330 I C -1.110 175.024 176.117 0.029 0.000 1.063 330 I CA -1.397 59.934 61.300 0.053 0.000 1.033 330 I CB 1.976 40.093 38.000 0.195 0.000 1.230 330 I HN 0.455 nan 8.210 nan 0.000 0.447 331 I N 4.120 124.694 120.570 0.008 0.000 2.465 331 I HA 0.457 4.627 4.170 0.000 0.000 0.291 331 I C -1.007 175.144 176.117 0.057 0.000 1.014 331 I CA -0.683 60.628 61.300 0.018 0.000 1.093 331 I CB 1.903 39.896 38.000 -0.011 0.000 1.267 331 I HN 0.427 nan 8.210 nan 0.000 0.431 332 V N 8.545 128.501 119.914 0.071 0.000 2.322 332 V HA 0.104 4.224 4.120 0.000 0.000 0.258 332 V C 1.215 177.371 176.094 0.104 0.000 1.074 332 V CA 0.198 62.558 62.300 0.101 0.000 0.909 332 V CB 0.542 32.407 31.823 0.071 0.000 1.090 332 V HN 0.755 nan 8.190 nan 0.000 0.486 333 V N 1.608 121.604 119.914 0.136 0.000 2.719 333 V HA 0.175 4.296 4.120 0.000 0.000 0.252 333 V C 0.314 176.562 176.094 0.258 0.000 1.065 333 V CA 0.580 62.973 62.300 0.155 0.000 1.086 333 V CB -0.262 31.640 31.823 0.132 0.000 0.700 333 V HN 0.749 nan 8.190 nan 0.000 0.467 334 W N 0.559 121.904 121.300 0.075 0.000 3.326 334 W HA 0.683 5.343 4.660 -0.000 0.000 0.333 334 W C -1.488 175.099 176.519 0.114 0.000 1.108 334 W CA -0.540 56.847 57.345 0.070 0.000 1.245 334 W CB 0.895 30.375 29.460 0.033 0.000 1.331 334 W HN 0.184 nan 8.180 nan 0.000 0.464 335 H N 7.627 126.130 119.070 -0.946 0.000 3.154 335 H HA 0.195 4.751 4.556 0.000 0.000 0.330 335 H C -1.964 172.890 175.328 -0.790 0.000 1.033 335 H CA -1.002 54.455 56.048 -0.986 0.000 1.393 335 H CB 2.893 32.367 29.762 -0.481 0.000 1.951 335 H HN 0.306 nan 8.280 nan 0.000 0.466 336 P HA -0.111 nan 4.420 nan 0.000 0.218 336 P C 0.854 178.083 177.300 -0.118 0.000 1.149 336 P CA 1.535 64.433 63.100 -0.338 0.000 0.817 336 P CB 0.895 32.414 31.700 -0.301 0.000 0.785 337 T N -3.028 111.548 114.554 0.036 0.000 2.638 337 T HA 0.665 5.015 4.350 0.000 0.000 0.169 337 T C 0.107 174.728 174.700 -0.131 0.000 0.790 337 T CA 0.255 62.336 62.100 -0.033 0.000 1.151 337 T CB 0.040 68.865 68.868 -0.072 0.000 2.581 337 T HN 0.157 nan 8.240 nan 0.000 0.391 338 A N 0.688 123.314 122.820 -0.323 0.000 2.574 338 A HA 0.700 5.020 4.320 0.000 0.000 0.297 338 A C -1.667 175.479 177.584 -0.731 0.000 1.062 338 A CA -0.992 50.725 52.037 -0.533 0.000 0.686 338 A CB 1.262 19.929 19.000 -0.555 0.000 1.285 338 A HN 1.193 nan 8.150 nan 0.000 0.403 339 L N -0.134 120.663 121.223 -0.710 0.000 2.322 339 L HA 1.026 5.366 4.340 0.000 0.000 0.281 339 L C -0.020 176.746 176.870 -0.173 0.000 1.014 339 L CA -0.377 54.122 54.840 -0.568 0.000 0.815 339 L CB 1.305 42.959 42.059 -0.674 0.000 1.247 339 L HN 1.186 nan 8.230 nan 0.000 0.421 340 A N 2.766 125.533 122.820 -0.088 0.000 2.389 340 A HA 0.638 4.958 4.320 0.000 0.000 0.293 340 A C -0.434 177.170 177.584 0.033 0.000 1.186 340 A CA -0.946 51.098 52.037 0.011 0.000 0.828 340 A CB 0.552 19.572 19.000 0.035 0.000 1.369 340 A HN 0.829 nan 8.150 nan 0.000 0.446 341 N N -0.769 117.939 118.700 0.014 0.000 2.294 341 N HA 0.331 5.071 4.740 0.000 0.000 0.248 341 N C 1.171 176.700 175.510 0.032 0.000 1.242 341 N CA 2.291 55.339 53.050 -0.002 0.000 0.848 341 N CB 0.380 38.857 38.487 -0.016 0.000 1.084 341 N HN 1.436 nan 8.380 nan 0.000 0.457 342 G N 0.842 109.659 108.800 0.029 0.000 2.234 342 G HA2 -0.312 3.648 3.960 0.000 0.000 0.235 342 G HA3 -0.312 3.648 3.960 0.000 0.000 0.235 342 G C -0.133 174.837 174.900 0.118 0.000 0.997 342 G CA 0.083 45.213 45.100 0.051 0.000 0.623 342 G HN 0.674 nan 8.290 nan 0.000 0.514 343 Y N 2.838 123.142 120.300 0.006 0.000 2.717 343 Y HA 0.436 4.986 4.550 -0.000 0.000 0.330 343 Y C 0.396 176.343 175.900 0.077 0.000 1.217 343 Y CA 1.024 59.152 58.100 0.048 0.000 1.506 343 Y CB 0.673 39.168 38.460 0.058 0.000 1.268 343 Y HN 0.071 nan 8.280 nan 0.000 0.561 344 T N 9.256 123.667 114.554 -0.238 0.000 3.390 344 T HA 0.258 4.608 4.350 0.000 0.000 0.351 344 T C -2.577 171.903 174.700 -0.367 0.000 1.759 344 T CA -1.044 60.913 62.100 -0.238 0.000 1.561 344 T CB 0.338 69.167 68.868 -0.065 0.000 1.011 344 T HN 0.479 nan 8.240 nan 0.000 0.689 345 P HA 0.392 nan 4.420 nan 0.000 0.277 345 P C -0.400 176.842 177.300 -0.097 0.000 1.271 345 P CA -0.471 62.421 63.100 -0.347 0.000 0.795 345 P CB 1.072 32.565 31.700 -0.345 0.000 1.101 346 V N 1.467 121.386 119.914 0.009 0.000 2.432 346 V HA 0.126 4.246 4.120 0.000 0.000 0.275 346 V C 0.490 176.659 176.094 0.126 0.000 1.043 346 V CA -0.253 62.081 62.300 0.056 0.000 0.925 346 V CB 0.572 32.464 31.823 0.115 0.000 0.985 346 V HN 0.330 nan 8.190 nan 0.000 0.466 347 L N 5.396 126.650 121.223 0.051 0.000 2.309 347 L HA 0.486 4.826 4.340 0.000 0.000 0.282 347 L C 0.094 177.030 176.870 0.111 0.000 1.036 347 L CA -0.017 54.867 54.840 0.072 0.000 0.806 347 L CB 1.155 43.100 42.059 -0.190 0.000 1.220 347 L HN 0.568 nan 8.230 nan 0.000 0.429 348 H N 3.219 122.291 119.070 0.002 0.000 2.595 348 H HA 0.585 5.141 4.556 -0.000 0.000 0.313 348 H C -1.117 174.193 175.328 -0.030 0.000 1.023 348 H CA -0.669 55.358 56.048 -0.035 0.000 1.218 348 H CB 1.514 31.274 29.762 -0.002 0.000 1.403 348 H HN 0.285 nan 8.280 nan 0.000 0.477 349 V N 4.249 124.093 119.914 -0.117 0.000 2.656 349 V HA 0.123 4.243 4.120 0.000 0.000 0.307 349 V C 0.824 176.638 176.094 -0.465 0.000 1.051 349 V CA -0.934 61.265 62.300 -0.168 0.000 0.893 349 V CB 1.447 33.112 31.823 -0.263 0.000 0.999 349 V HN 1.082 nan 8.190 nan 0.000 0.426 350 H N 3.071 122.166 119.070 0.040 0.000 1.452 350 H HA -0.372 4.184 4.556 0.000 0.000 0.090 350 H C 1.230 176.566 175.328 0.014 0.000 0.977 350 H CA 2.073 58.133 56.048 0.020 0.000 1.901 350 H CB -1.709 28.049 29.762 -0.008 0.000 2.257 350 H HN 0.880 nan 8.280 nan 0.000 0.961 351 T N -0.548 114.069 114.554 0.106 0.000 3.107 351 T HA 0.676 5.026 4.350 0.000 0.000 0.249 351 T C 0.939 175.573 174.700 -0.109 0.000 1.096 351 T CA 0.325 62.443 62.100 0.031 0.000 1.012 351 T CB -0.137 68.795 68.868 0.108 0.000 0.977 351 T HN 0.835 nan 8.240 nan 0.000 0.527 352 A N 0.737 123.359 122.820 -0.330 0.000 2.302 352 A HA 0.705 5.025 4.320 0.000 0.000 0.285 352 A C 0.160 177.528 177.584 -0.361 0.000 1.105 352 A CA -0.672 51.180 52.037 -0.309 0.000 0.816 352 A CB 0.892 19.687 19.000 -0.342 0.000 1.067 352 A HN 0.282 nan 8.150 nan 0.000 0.489 353 S N 0.681 116.184 115.700 -0.328 0.000 2.620 353 S HA 0.541 5.011 4.470 0.000 0.000 0.244 353 S C -1.303 173.162 174.600 -0.226 0.000 1.192 353 S CA -0.336 57.601 58.200 -0.439 0.000 1.148 353 S CB 0.329 63.207 63.200 -0.537 0.000 1.106 353 S HN 0.735 nan 8.310 nan 0.000 0.474 354 V N 3.163 122.976 119.914 -0.168 0.000 2.760 354 V HA 0.749 4.869 4.120 0.000 0.000 0.309 354 V C 0.254 176.307 176.094 -0.067 0.000 1.077 354 V CA -1.020 61.222 62.300 -0.096 0.000 0.910 354 V CB 1.859 33.635 31.823 -0.080 0.000 1.008 354 V HN 0.897 nan 8.190 nan 0.000 0.424 355 A N 2.912 125.706 122.820 -0.044 0.000 2.440 355 A HA 0.534 4.854 4.320 0.000 0.000 0.251 355 A C -0.129 177.436 177.584 -0.031 0.000 1.089 355 A CA 0.034 52.049 52.037 -0.036 0.000 0.779 355 A CB -0.038 18.945 19.000 -0.027 0.000 1.022 355 A HN 0.927 nan 8.150 nan 0.000 0.492 356 C N 2.204 121.487 119.300 -0.029 0.000 2.431 356 C HA 0.587 5.047 4.460 0.000 0.000 0.321 356 C C 0.421 175.463 174.990 0.087 0.000 1.202 356 C CA -0.692 58.337 59.018 0.019 0.000 1.398 356 C CB 1.037 28.759 27.740 -0.030 0.000 2.047 356 C HN 1.021 nan 8.230 nan 0.000 0.465 357 R N 2.045 122.572 120.500 0.045 0.000 2.340 357 R HA 0.489 4.829 4.340 0.000 0.000 0.300 357 R C -0.681 175.601 176.300 -0.029 0.000 1.069 357 R CA -0.251 55.856 56.100 0.012 0.000 0.984 357 R CB 0.695 30.988 30.300 -0.012 0.000 1.003 357 R HN 0.642 nan 8.270 nan 0.000 0.459 358 V N 5.184 125.042 119.914 -0.095 0.000 2.403 358 V HA -0.056 4.064 4.120 0.000 0.000 0.265 358 V C 1.316 177.289 176.094 -0.200 0.000 1.034 358 V CA 0.631 62.741 62.300 -0.316 0.000 1.036 358 V CB 0.752 32.453 31.823 -0.204 0.000 1.032 358 V HN 1.010 nan 8.190 nan 0.000 0.478 359 S N 2.949 118.508 115.700 -0.234 0.000 2.478 359 S HA 0.156 4.626 4.470 0.000 0.000 0.222 359 S C 0.483 175.005 174.600 -0.129 0.000 1.008 359 S CA 0.068 58.183 58.200 -0.143 0.000 0.928 359 S CB 0.322 63.447 63.200 -0.126 0.000 0.781 359 S HN 0.800 nan 8.310 nan 0.000 0.518 360 E N -0.396 119.699 120.200 -0.174 0.000 2.400 360 E HA 0.372 4.722 4.350 0.000 0.000 0.285 360 E C -2.316 174.200 176.600 -0.141 0.000 1.005 360 E CA -0.682 55.642 56.400 -0.126 0.000 0.816 360 E CB 1.135 30.781 29.700 -0.090 0.000 1.220 360 E HN 0.099 nan 8.360 nan 0.000 0.426 361 L N 5.247 126.410 121.223 -0.100 0.000 2.321 361 L HA 0.246 4.586 4.340 0.000 0.000 0.272 361 L C 0.799 177.630 176.870 -0.066 0.000 1.050 361 L CA 0.178 54.964 54.840 -0.090 0.000 0.893 361 L CB 0.935 42.944 42.059 -0.083 0.000 1.272 361 L HN 0.622 nan 8.230 nan 0.000 0.435 362 V N 0.935 120.818 119.914 -0.052 0.000 2.307 362 V HA -0.014 4.106 4.120 0.000 0.000 0.245 362 V C 0.915 176.994 176.094 -0.025 0.000 1.045 362 V CA 1.433 63.716 62.300 -0.028 0.000 1.024 362 V CB -0.330 31.489 31.823 -0.007 0.000 0.651 362 V HN 0.866 nan 8.190 nan 0.000 0.449 363 S N -1.594 114.092 115.700 -0.023 0.000 2.586 363 S HA 0.442 4.912 4.470 0.000 0.000 0.277 363 S C -1.164 173.422 174.600 -0.024 0.000 1.131 363 S CA -0.966 57.219 58.200 -0.024 0.000 0.848 363 S CB 2.053 65.250 63.200 -0.005 0.000 1.091 363 S HN 0.258 nan 8.310 nan 0.000 0.453 364 K N 0.929 121.307 120.400 -0.037 0.000 2.130 364 K HA 0.680 5.000 4.320 0.000 0.000 0.268 364 K C -1.306 175.286 176.600 -0.012 0.000 0.983 364 K CA -0.783 55.484 56.287 -0.033 0.000 0.893 364 K CB 0.589 33.052 32.500 -0.062 0.000 1.066 364 K HN 0.524 nan 8.250 nan 0.000 0.450 365 L N 2.018 123.243 121.223 0.003 0.000 2.322 365 L HA 0.284 4.624 4.340 0.000 0.000 0.269 365 L C -0.255 176.629 176.870 0.022 0.000 1.012 365 L CA -0.397 54.455 54.840 0.020 0.000 0.815 365 L CB 1.403 43.482 42.059 0.034 0.000 1.295 365 L HN 0.696 nan 8.230 nan 0.000 0.438 366 D N 3.449 123.870 120.400 0.034 0.000 2.339 366 D HA 0.114 4.754 4.640 0.000 0.000 0.256 366 D C -1.694 174.645 176.300 0.064 0.000 1.214 366 D CA -1.423 52.600 54.000 0.037 0.000 0.877 366 D CB 1.750 42.570 40.800 0.033 0.000 1.111 366 D HN 0.289 nan 8.370 nan 0.000 0.478 367 P HA -0.096 nan 4.420 nan 0.000 0.225 367 P C 0.883 178.261 177.300 0.131 0.000 1.148 367 P CA 0.733 63.877 63.100 0.074 0.000 0.779 367 P CB 0.519 32.250 31.700 0.052 0.000 0.780 368 R N -0.490 120.086 120.500 0.126 0.000 2.175 368 R HA 0.075 4.415 4.340 0.000 0.000 0.202 368 R C 2.138 178.545 176.300 0.178 0.000 1.018 368 R CA 1.762 57.952 56.100 0.150 0.000 1.029 368 R CB -0.350 29.986 30.300 0.059 0.000 0.959 368 R HN 0.293 nan 8.270 nan 0.000 0.480 369 T N -4.426 110.223 114.554 0.158 0.000 2.959 369 T HA 0.237 4.587 4.350 0.000 0.000 0.254 369 T C 1.378 176.262 174.700 0.308 0.000 1.003 369 T CA 0.560 62.767 62.100 0.179 0.000 0.950 369 T CB 1.197 70.100 68.868 0.059 0.000 1.090 369 T HN 0.311 nan 8.240 nan 0.000 0.503 370 G N 2.156 111.095 108.800 0.232 0.000 2.176 370 G HA2 -0.283 3.678 3.960 0.000 0.000 0.253 370 G HA3 -0.283 3.678 3.960 0.000 0.000 0.253 370 G C 0.026 175.003 174.900 0.128 0.000 0.979 370 G CA 0.256 45.474 45.100 0.197 0.000 0.641 370 G HN 1.053 nan 8.290 nan 0.000 0.530 371 Q N 0.575 120.428 119.800 0.088 0.000 2.354 371 Q HA 0.530 4.870 4.340 0.000 0.000 0.244 371 Q C 0.203 176.221 176.000 0.029 0.000 0.969 371 Q CA -0.322 55.504 55.803 0.038 0.000 0.885 371 Q CB 1.153 29.888 28.738 -0.005 0.000 1.241 371 Q HN 0.451 nan 8.270 nan 0.000 0.461 372 E N 0.526 120.739 120.200 0.021 0.000 2.480 372 E HA 0.033 4.383 4.350 0.000 0.000 0.258 372 E C -0.279 176.320 176.600 -0.000 0.000 0.984 372 E CA 0.486 56.893 56.400 0.012 0.000 0.930 372 E CB 0.614 30.320 29.700 0.010 0.000 0.936 372 E HN 0.746 nan 8.360 nan 0.000 0.466 373 A N 4.690 127.506 122.820 -0.006 0.000 2.140 373 A HA 0.088 4.408 4.320 0.000 0.000 0.209 373 A C 0.550 178.117 177.584 -0.029 0.000 1.181 373 A CA 0.314 52.341 52.037 -0.016 0.000 0.824 373 A CB 0.381 19.372 19.000 -0.015 0.000 0.879 373 A HN 0.700 nan 8.150 nan 0.000 0.480 374 E N -0.097 120.082 120.200 -0.034 0.000 2.481 374 E HA 0.250 4.600 4.350 0.000 0.000 0.301 374 E C -1.442 175.129 176.600 -0.048 0.000 0.948 374 E CA -0.494 55.877 56.400 -0.049 0.000 0.804 374 E CB 0.982 30.636 29.700 -0.076 0.000 1.265 374 E HN 0.204 nan 8.360 nan 0.000 0.406 375 K N 2.310 122.685 120.400 -0.041 0.000 2.237 375 K HA 0.201 4.521 4.320 0.000 0.000 0.270 375 K C -0.315 176.254 176.600 -0.052 0.000 1.015 375 K CA -0.024 56.241 56.287 -0.036 0.000 0.949 375 K CB 0.262 32.747 32.500 -0.025 0.000 0.976 375 K HN 0.587 nan 8.250 nan 0.000 0.472 376 N N 2.140 120.810 118.700 -0.049 0.000 2.696 376 N HA -0.173 4.567 4.740 0.000 0.000 0.271 376 N C -2.520 172.935 175.510 -0.091 0.000 0.997 376 N CA -0.086 52.927 53.050 -0.061 0.000 0.801 376 N CB -0.781 37.678 38.487 -0.047 0.000 0.913 376 N HN 0.405 nan 8.380 nan 0.000 0.557 377 P HA -0.034 nan 4.420 nan 0.000 0.271 377 P C 0.012 177.184 177.300 -0.213 0.000 1.216 377 P CA -0.032 62.947 63.100 -0.202 0.000 0.776 377 P CB 0.873 32.438 31.700 -0.224 0.000 0.881 378 Q N 2.168 121.796 119.800 -0.286 0.000 2.224 378 Q HA 0.054 4.394 4.340 0.000 0.000 0.203 378 Q C 0.578 176.552 176.000 -0.043 0.000 0.970 378 Q CA 1.494 57.207 55.803 -0.150 0.000 0.865 378 Q CB -0.750 27.949 28.738 -0.065 0.000 0.922 378 Q HN 0.653 nan 8.270 nan 0.000 0.445 379 F N -3.444 116.459 119.950 -0.077 0.000 2.858 379 F HA 0.607 5.135 4.527 0.000 0.000 0.319 379 F C -1.737 173.994 175.800 -0.115 0.000 1.166 379 F CA -1.889 56.045 58.000 -0.110 0.000 0.899 379 F CB 0.796 39.719 39.000 -0.128 0.000 1.332 379 F HN -0.264 nan 8.300 nan 0.000 0.461 380 L N 2.077 123.381 121.223 0.135 0.000 2.354 380 L HA 0.655 4.995 4.340 0.000 0.000 0.269 380 L C -0.523 176.374 176.870 0.046 0.000 1.005 380 L CA -1.088 53.774 54.840 0.036 0.000 0.819 380 L CB 2.086 44.128 42.059 -0.030 0.000 1.311 380 L HN 0.528 nan 8.230 nan 0.000 0.423 381 K N 1.141 121.567 120.400 0.043 0.000 2.306 381 K HA 0.343 4.663 4.320 0.000 0.000 0.236 381 K C -0.777 175.815 176.600 -0.013 0.000 1.013 381 K CA -0.871 55.418 56.287 0.004 0.000 0.857 381 K CB 1.633 34.173 32.500 0.067 0.000 1.214 381 K HN 0.521 nan 8.250 nan 0.000 0.449 382 Q N -0.061 119.729 119.800 -0.015 0.000 2.300 382 Q HA 0.207 4.547 4.340 0.000 0.000 0.280 382 Q C 0.530 176.548 176.000 0.030 0.000 1.033 382 Q CA 1.512 57.322 55.803 0.011 0.000 0.903 382 Q CB -0.018 28.720 28.738 -0.000 0.000 1.195 382 Q HN 0.809 nan 8.270 nan 0.000 0.386 383 G N 3.410 112.235 108.800 0.043 0.000 2.213 383 G HA2 -0.195 3.765 3.960 0.000 0.000 0.236 383 G HA3 -0.195 3.765 3.960 0.000 0.000 0.236 383 G C -0.467 174.451 174.900 0.030 0.000 0.991 383 G CA -0.003 45.121 45.100 0.040 0.000 0.629 383 G HN 0.687 nan 8.290 nan 0.000 0.517 384 D N 0.664 121.078 120.400 0.024 0.000 2.345 384 D HA 0.489 5.130 4.640 0.000 0.000 0.247 384 D C 0.812 177.124 176.300 0.020 0.000 1.108 384 D CA 0.531 54.540 54.000 0.015 0.000 0.894 384 D CB 1.790 42.591 40.800 0.002 0.000 1.203 384 D HN 0.831 nan 8.370 nan 0.000 0.430 385 V N -0.988 118.935 119.914 0.015 0.000 2.459 385 V HA 0.958 5.078 4.120 0.000 0.000 0.295 385 V C -0.191 175.913 176.094 0.017 0.000 1.029 385 V CA -0.828 61.482 62.300 0.016 0.000 0.874 385 V CB 1.080 32.909 31.823 0.010 0.000 0.985 385 V HN 0.655 nan 8.190 nan 0.000 0.438 386 A N 4.362 127.199 122.820 0.028 0.000 2.599 386 A HA 0.875 5.195 4.320 0.000 0.000 0.290 386 A C -1.165 176.449 177.584 0.050 0.000 1.101 386 A CA -0.801 51.252 52.037 0.026 0.000 0.674 386 A CB 1.500 20.504 19.000 0.007 0.000 1.277 386 A HN 0.872 nan 8.150 nan 0.000 0.419 387 I N 1.080 121.674 120.570 0.041 0.000 2.336 387 I HA 0.553 4.723 4.170 0.000 0.000 0.292 387 I C -0.753 175.383 176.117 0.032 0.000 0.991 387 I CA -0.684 60.654 61.300 0.063 0.000 1.227 387 I CB 1.496 39.530 38.000 0.057 0.000 1.366 387 I HN 0.331 nan 8.210 nan 0.000 0.466 388 V N 6.015 125.958 119.914 0.049 0.000 3.007 388 V HA 0.440 4.560 4.120 0.000 0.000 0.311 388 V C -0.417 175.614 176.094 -0.106 0.000 1.120 388 V CA -1.011 61.240 62.300 -0.082 0.000 0.980 388 V CB 2.617 34.334 31.823 -0.177 0.000 1.033 388 V HN 0.603 nan 8.190 nan 0.000 0.429 389 K N 2.058 122.305 120.400 -0.255 0.000 2.207 389 K HA 0.729 5.049 4.320 0.000 0.000 0.255 389 K C -1.718 174.577 176.600 -0.509 0.000 0.941 389 K CA -0.347 55.796 56.287 -0.241 0.000 0.825 389 K CB 1.992 34.406 32.500 -0.144 0.000 1.119 389 K HN 0.441 nan 8.250 nan 0.000 0.430 390 F N 1.248 120.858 119.950 -0.568 0.000 2.551 390 F HA 0.398 4.925 4.527 -0.000 0.000 0.316 390 F C 0.018 175.444 175.800 -0.623 0.000 1.089 390 F CA -0.867 56.725 58.000 -0.679 0.000 0.915 390 F CB 1.926 40.242 39.000 -1.141 0.000 1.186 390 F HN 0.081 nan 8.300 nan 0.000 0.456 391 K N 3.516 123.829 120.400 -0.144 0.000 2.559 391 K HA 0.370 4.690 4.320 0.000 0.000 0.249 391 K C -2.825 173.760 176.600 -0.025 0.000 0.958 391 K CA -1.925 54.312 56.287 -0.084 0.000 0.901 391 K CB 1.791 34.258 32.500 -0.055 0.000 1.124 391 K HN 0.155 nan 8.250 nan 0.000 0.437 392 P HA -0.018 nan 4.420 nan 0.000 0.264 392 P C 0.756 178.064 177.300 0.014 0.000 1.183 392 P CA -0.136 62.985 63.100 0.035 0.000 0.763 392 P CB 0.500 32.246 31.700 0.077 0.000 0.807 393 I N 1.446 122.017 120.570 0.003 0.000 2.546 393 I HA -0.052 4.118 4.170 0.000 0.000 0.255 393 I C 0.851 176.968 176.117 -0.001 0.000 1.163 393 I CA 1.658 62.958 61.300 -0.001 0.000 1.457 393 I CB -0.822 37.173 38.000 -0.007 0.000 1.092 393 I HN 0.386 nan 8.210 nan 0.000 0.434 394 K N -0.399 120.000 120.400 -0.002 0.000 2.400 394 K HA 0.478 4.798 4.320 0.000 0.000 0.246 394 K C -2.550 174.053 176.600 0.005 0.000 0.995 394 K CA -1.843 54.443 56.287 -0.003 0.000 0.840 394 K CB 0.634 33.127 32.500 -0.012 0.000 1.293 394 K HN -0.294 nan 8.250 nan 0.000 0.445 395 P HA 0.011 nan 4.420 nan 0.000 0.261 395 P C -1.361 175.946 177.300 0.012 0.000 1.183 395 P CA -0.070 63.038 63.100 0.013 0.000 0.761 395 P CB 0.349 32.055 31.700 0.010 0.000 0.785 396 L N 5.527 126.764 121.223 0.023 0.000 2.436 396 L HA 0.431 4.771 4.340 0.000 0.000 0.268 396 L C -1.309 175.573 176.870 0.020 0.000 0.974 396 L CA -0.574 54.276 54.840 0.016 0.000 0.826 396 L CB 1.423 43.489 42.059 0.012 0.000 1.291 396 L HN 0.331 nan 8.230 nan 0.000 0.406 397 C N 5.104 124.426 119.300 0.036 0.000 2.373 397 C HA 0.786 5.246 4.460 0.000 0.000 0.354 397 C C 0.140 175.163 174.990 0.055 0.000 1.249 397 C CA -0.487 58.546 59.018 0.024 0.000 1.784 397 C CB -0.314 27.428 27.740 0.004 0.000 2.408 397 C HN 0.665 nan 8.230 nan 0.000 0.542 398 V N 1.853 121.738 119.914 -0.048 0.000 3.114 398 V HA 0.800 4.920 4.120 0.000 0.000 0.308 398 V C -1.086 174.952 176.094 -0.092 0.000 1.168 398 V CA -0.586 61.648 62.300 -0.109 0.000 1.015 398 V CB 2.179 33.766 31.823 -0.394 0.000 1.050 398 V HN 0.667 nan 8.190 nan 0.000 0.433 399 E N 0.448 120.621 120.200 -0.044 0.000 2.392 399 E HA 0.531 4.881 4.350 0.000 0.000 0.269 399 E C -1.329 175.336 176.600 0.108 0.000 0.924 399 E CA -1.087 55.347 56.400 0.056 0.000 0.784 399 E CB 2.459 32.243 29.700 0.140 0.000 1.292 399 E HN 0.747 nan 8.360 nan 0.000 0.447 400 K N 0.667 121.160 120.400 0.154 0.000 2.382 400 K HA 0.007 4.327 4.320 0.000 0.000 0.275 400 K C 0.791 177.488 176.600 0.161 0.000 1.009 400 K CA 0.126 56.503 56.287 0.150 0.000 0.970 400 K CB 0.253 32.824 32.500 0.118 0.000 0.934 400 K HN 0.452 nan 8.250 nan 0.000 0.479 401 Y N 3.480 123.820 120.300 0.067 0.000 2.128 401 Y HA -0.342 4.208 4.550 -0.000 0.000 0.284 401 Y C 1.698 177.600 175.900 0.003 0.000 1.154 401 Y CA 2.406 60.535 58.100 0.047 0.000 1.149 401 Y CB -0.165 38.320 38.460 0.041 0.000 0.976 401 Y HN 0.841 nan 8.280 nan 0.000 0.505 402 N N 0.026 118.739 118.700 0.021 0.000 2.443 402 N HA -0.167 4.573 4.740 0.000 0.000 0.184 402 N C 1.148 176.513 175.510 -0.241 0.000 1.037 402 N CA 1.944 54.923 53.050 -0.118 0.000 0.896 402 N CB -0.599 37.867 38.487 -0.036 0.000 0.959 402 N HN 0.612 nan 8.380 nan 0.000 0.442 403 E N -1.215 118.841 120.200 -0.239 0.000 2.127 403 E HA 0.125 4.475 4.350 0.000 0.000 0.191 403 E C -0.459 175.621 176.600 -0.866 0.000 0.964 403 E CA 0.528 56.626 56.400 -0.503 0.000 0.832 403 E CB 0.130 29.623 29.700 -0.345 0.000 0.790 403 E HN 0.325 nan 8.360 nan 0.000 0.465 404 F N 0.033 119.893 119.950 -0.150 0.000 2.931 404 F HA 0.287 4.814 4.527 0.001 0.000 0.375 404 F C -2.245 173.436 175.800 -0.199 0.000 1.243 404 F CA -2.049 55.858 58.000 -0.156 0.000 1.206 404 F CB 1.604 40.534 39.000 -0.116 0.000 1.643 404 F HN -0.137 nan 8.300 nan 0.000 0.593 405 P HA -0.197 nan 4.420 nan 0.000 0.217 405 P C -1.377 175.903 177.300 -0.032 0.000 1.158 405 P CA 1.917 64.735 63.100 -0.470 0.000 0.887 405 P CB -0.684 30.665 31.700 -0.585 0.000 0.792 406 P HA -0.056 nan 4.420 nan 0.000 0.225 406 P C 0.662 178.043 177.300 0.135 0.000 1.148 406 P CA 1.094 64.246 63.100 0.086 0.000 0.779 406 P CB -0.234 31.497 31.700 0.052 0.000 0.780 407 L N -2.492 118.806 121.223 0.124 0.000 2.808 407 L HA 0.382 4.723 4.340 0.000 0.000 0.246 407 L C 1.706 178.675 176.870 0.165 0.000 1.153 407 L CA 0.494 55.429 54.840 0.157 0.000 0.956 407 L CB -0.490 41.550 42.059 -0.033 0.000 1.270 407 L HN -0.077 nan 8.230 nan 0.000 0.528 408 G N -0.941 107.985 108.800 0.210 0.000 3.441 408 G HA2 0.158 4.118 3.960 0.000 0.000 0.263 408 G HA3 0.158 4.118 3.960 0.000 0.000 0.263 408 G C 0.483 175.599 174.900 0.361 0.000 1.014 408 G CA -0.275 44.987 45.100 0.271 0.000 0.833 408 G HN 0.139 nan 8.290 nan 0.000 0.514 409 R N 0.320 121.007 120.500 0.311 0.000 2.534 409 R HA 0.643 4.983 4.340 0.000 0.000 0.301 409 R C -1.176 175.231 176.300 0.179 0.000 0.961 409 R CA -0.750 55.450 56.100 0.166 0.000 0.871 409 R CB 1.030 31.410 30.300 0.133 0.000 1.170 409 R HN 0.083 nan 8.270 nan 0.000 0.446 410 F N 1.151 121.099 119.950 -0.003 0.000 2.675 410 F HA 0.900 5.427 4.527 0.000 0.000 0.324 410 F C -1.632 174.167 175.800 -0.002 0.000 1.106 410 F CA -1.267 56.721 58.000 -0.020 0.000 0.970 410 F CB 1.498 40.449 39.000 -0.082 0.000 1.385 410 F HN 0.516 nan 8.300 nan 0.000 0.489 411 A N 1.984 124.946 122.820 0.237 0.000 2.393 411 A HA 0.752 5.072 4.320 0.000 0.000 0.306 411 A C -1.239 176.496 177.584 0.251 0.000 1.050 411 A CA -0.868 51.240 52.037 0.119 0.000 0.724 411 A CB 1.245 20.258 19.000 0.022 0.000 1.248 411 A HN 0.817 nan 8.150 nan 0.000 0.424 412 M N 2.945 122.692 119.600 0.245 0.000 2.108 412 M HA 0.393 4.873 4.480 0.000 0.000 0.354 412 M C 0.164 176.576 176.300 0.186 0.000 1.229 412 M CA 0.311 55.764 55.300 0.256 0.000 1.081 412 M CB 0.920 33.730 32.600 0.350 0.000 1.606 412 M HN 0.599 nan 8.290 nan 0.000 0.467 413 R N 1.801 122.388 120.500 0.145 0.000 2.637 413 R HA 0.639 4.979 4.340 0.000 0.000 0.291 413 R C -1.359 175.039 176.300 0.165 0.000 0.963 413 R CA -0.848 55.311 56.100 0.099 0.000 0.901 413 R CB 1.987 32.259 30.300 -0.047 0.000 1.160 413 R HN 0.544 nan 8.270 nan 0.000 0.457 414 D N 1.850 122.372 120.400 0.203 0.000 2.769 414 D HA 0.165 4.806 4.640 0.000 0.000 0.219 414 D C -0.068 176.368 176.300 0.227 0.000 1.245 414 D CA -0.397 53.746 54.000 0.237 0.000 0.801 414 D CB 1.148 42.157 40.800 0.349 0.000 1.598 414 D HN 0.567 nan 8.370 nan 0.000 0.485 415 M N 1.978 121.674 119.600 0.160 0.000 2.393 415 M HA -0.236 4.244 4.480 0.000 0.000 0.201 415 M C 0.946 177.253 176.300 0.011 0.000 0.403 415 M CA 1.179 56.543 55.300 0.108 0.000 0.471 415 M CB -1.803 30.908 32.600 0.184 0.000 1.669 415 M HN 0.804 nan 8.290 nan 0.000 0.864 416 G N 0.183 108.985 108.800 0.003 0.000 2.159 416 G HA2 -0.292 3.668 3.960 0.000 0.000 0.256 416 G HA3 -0.292 3.668 3.960 0.000 0.000 0.256 416 G C -0.039 174.795 174.900 -0.110 0.000 0.977 416 G CA 0.965 46.035 45.100 -0.050 0.000 0.652 416 G HN 0.736 nan 8.290 nan 0.000 0.531 417 K N -1.380 118.953 120.400 -0.113 0.000 2.499 417 K HA 0.695 5.015 4.320 0.000 0.000 0.277 417 K C -0.928 175.664 176.600 -0.013 0.000 1.025 417 K CA -0.887 55.302 56.287 -0.164 0.000 0.900 417 K CB 0.863 33.101 32.500 -0.435 0.000 1.494 417 K HN -0.014 nan 8.250 nan 0.000 0.442 418 T N 1.357 115.909 114.554 -0.003 0.000 2.729 418 T HA 0.114 4.464 4.350 0.000 0.000 0.296 418 T C 1.077 175.946 174.700 0.281 0.000 0.928 418 T CA -0.539 61.620 62.100 0.098 0.000 1.045 418 T CB 0.978 69.866 68.868 0.033 0.000 0.902 418 T HN 0.409 nan 8.240 nan 0.000 0.500 419 V N 2.846 122.973 119.914 0.355 0.000 2.535 419 V HA 0.281 4.402 4.120 0.000 0.000 0.246 419 V C 1.402 177.675 176.094 0.299 0.000 1.045 419 V CA 1.432 63.986 62.300 0.423 0.000 1.058 419 V CB -0.356 31.731 31.823 0.439 0.000 0.689 419 V HN 1.012 nan 8.190 nan 0.000 0.461 420 G N -1.454 107.489 108.800 0.237 0.000 2.623 420 G HA2 0.557 4.517 3.960 0.000 0.000 0.290 420 G HA3 0.557 4.517 3.960 0.000 0.000 0.290 420 G C -2.061 172.871 174.900 0.054 0.000 1.437 420 G CA -0.337 44.858 45.100 0.160 0.000 0.798 420 G HN -0.105 nan 8.290 nan 0.000 0.488 421 V N -0.376 119.505 119.914 -0.054 0.000 2.735 421 V HA 0.940 5.060 4.120 0.000 0.000 0.310 421 V C 0.555 176.398 176.094 -0.419 0.000 1.061 421 V CA 0.081 62.243 62.300 -0.231 0.000 0.913 421 V CB 1.706 33.434 31.823 -0.158 0.000 1.005 421 V HN 1.373 nan 8.190 nan 0.000 0.428 422 G N 2.602 110.833 108.800 -0.948 0.000 2.660 422 G HA2 0.745 4.705 3.960 0.000 0.000 0.294 422 G HA3 0.745 4.705 3.960 0.000 0.000 0.294 422 G C -2.075 172.401 174.900 -0.707 0.000 1.369 422 G CA -0.604 43.926 45.100 -0.951 0.000 0.912 422 G HN 0.432 nan 8.290 nan 0.000 0.479 423 I N 0.718 121.143 120.570 -0.242 0.000 2.406 423 I HA 0.403 4.573 4.170 0.000 0.000 0.290 423 I C 0.021 176.250 176.117 0.187 0.000 0.999 423 I CA -0.975 60.263 61.300 -0.104 0.000 1.124 423 I CB 1.691 39.503 38.000 -0.313 0.000 1.289 423 I HN 0.324 nan 8.210 nan 0.000 0.441 424 I N 7.466 128.214 120.570 0.296 0.000 2.379 424 I HA 0.079 4.249 4.170 0.000 0.000 0.290 424 I C 1.166 177.433 176.117 0.250 0.000 1.063 424 I CA -0.133 61.356 61.300 0.314 0.000 1.351 424 I CB 0.781 38.860 38.000 0.131 0.000 1.410 424 I HN 0.504 nan 8.210 nan 0.000 0.505 425 V N 0.943 121.007 119.914 0.250 0.000 3.660 425 V HA 0.354 4.474 4.120 0.000 0.000 0.276 425 V C 0.011 176.209 176.094 0.174 0.000 1.317 425 V CA 0.396 62.812 62.300 0.192 0.000 1.097 425 V CB -0.042 31.880 31.823 0.165 0.000 0.863 425 V HN 0.814 nan 8.190 nan 0.000 0.438 426 D N -1.346 119.173 120.400 0.199 0.000 2.745 426 D HA 0.536 5.176 4.640 0.000 0.000 0.221 426 D C -1.641 174.782 176.300 0.205 0.000 1.237 426 D CA -0.143 53.958 54.000 0.169 0.000 0.781 426 D CB 2.430 43.317 40.800 0.144 0.000 1.575 426 D HN -0.023 nan 8.370 nan 0.000 0.482 427 V N 2.830 122.841 119.914 0.162 0.000 2.638 427 V HA 0.467 4.587 4.120 0.000 0.000 0.306 427 V C -0.467 175.704 176.094 0.128 0.000 1.052 427 V CA -0.914 61.491 62.300 0.175 0.000 0.885 427 V CB 1.882 33.780 31.823 0.125 0.000 0.999 427 V HN 0.546 nan 8.190 nan 0.000 0.424 428 K N 6.356 126.834 120.400 0.130 0.000 2.299 428 K HA 0.473 4.793 4.320 0.000 0.000 0.268 428 K C -2.672 173.976 176.600 0.079 0.000 1.075 428 K CA -1.724 54.615 56.287 0.086 0.000 0.936 428 K CB 1.238 33.781 32.500 0.072 0.000 1.228 428 K HN 0.338 nan 8.250 nan 0.000 0.454 429 P HA -0.055 nan 4.420 nan 0.000 0.268 429 P C -1.037 176.287 177.300 0.040 0.000 1.208 429 P CA -0.005 63.124 63.100 0.047 0.000 0.777 429 P CB 1.075 32.797 31.700 0.036 0.000 0.875 430 A N 0.000 122.840 122.820 0.034 0.000 2.254 430 A HA 0.000 4.320 4.320 0.000 0.000 0.244 430 A CA 0.000 52.054 52.037 0.028 0.000 0.836 430 A CB 0.000 19.017 19.000 0.029 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486